SCHEMBL2596648

SCHEMBL2596648

CC1(O)CCC(CNC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
TDP1 Q9NUW8 1/20 0.42
EPHX1 P07099 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2596646 1.00 CYP2D6 (0.50) CYP2D6TDP1EPHX1SMN1; SMN2CYP3A4
SCHEMBL2696397 0.83 CYP2D6 (0.46) CYP2D6TDP1EPHX1SMN1; SMN2CYP3A4
SCHEMBL2697560 0.80 CYP2D6 (0.44) CYP2D6TDP1EPHX1SMN1; SMN2CYP3A4
SCHEMBL217411 0.80
SCHEMBL4396572 0.80 CYP2D6 (0.63) CYP2D6TDP1EPHX1CYP3A4ALDH1A1
SCHEMBL4396576 0.80 CYP2D6 (0.63) CYP2D6TDP1EPHX1CYP3A4ALDH1A1
SCHEMBL306555 0.80 CYP2D6 (0.50) CYP2D6TDP1EPHX1
SCHEMBL30413305 0.79 CYP2D6 (0.44) CYP2D6TDP1EPHX1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL4316280 0.78
SCHEMBL24775034 0.78 KMT2A (0.45) TDP1EPHX1KDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376104-A1 Bcl-2 Inhibitors BEIGENE LTD. (KY) 2024-11-14 US disclosed
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2024-02-13 US disclosed
US-20240043404-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2024-02-08 US disclosed
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP disclosed
EP-4218731-A2 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2023-08-02 EP disclosed
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 US disclosed
US-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent ABBVIE INC. (US) 2022-06-28 US disclosed
US-20220125796-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2022-04-28 US disclosed
US-20210221789-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2021-07-22 US disclosed
US-20200231566-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2020-07-23 US disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 WO disclosed
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
EP-2154970-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-02-24 EP disclosed
WO-2008143963-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4647/4885TDP1 2590/4885EPHX1 3977/4885
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885TDP1 2518/4885EPHX1 3897/4885
US-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent BCL2, BAX, BCL2L1 CYP2D6 2920/4885TDP1 827/4885EPHX1 4807/4885
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885TDP1 2518/4885EPHX1 3897/4885
US-20210221789-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885TDP1 2518/4885EPHX1 3897/4885
US-20220125796-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 CYP2D6 3049/4885TDP1 1952/4885EPHX1 4831/4885
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases BCL2, BAX, BCL3 CYP2D6 4646/4885TDP1 2518/4885EPHX1 3897/4885
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 CYP2D6 3026/4885TDP1 908/4885EPHX1 4805/4885
US-20240376104-A1 Bcl-2 Inhibitors BCL2, BCL2L1, BCL2L2 CYP2D6 3945/4885TDP1 2551/4885EPHX1 4150/4885
US-20200231566-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885TDP1 2518/4885EPHX1 3897/4885
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 CYP2D6 4379/4885TDP1 3300/4885EPHX1 3870/4885
US-20240043404-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885TDP1 2518/4885EPHX1 3897/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.