SCHEMBL481633

SCHEMBL481633

O=C(O)NCC1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL14718558 1.00 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL217411 0.91
SCHEMBL4396576 0.91 CYP2D6 (0.63) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL4396572 0.91 CYP2D6 (0.63) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL4316280 0.88
SCHEMBL15333740 0.87 CYP2D6 (0.47) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL15333742 0.87 CYP2D6 (0.47) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL3648058 0.82 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL5519295 0.82 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL1118505 0.82 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 WO disclosed
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-05-09 US disclosed
WO-2024075051-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-04-11 WO 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
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US 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 (10 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 CYP2D6 114/4885TDP1 1160/4885EPHX1 590/4885
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS HSD17B1, HSD17B3, HSD17B13 CYP2D6 151/4885TDP1 1824/4885EPHX1 766/4885
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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA CYP2D6 1444/4885TDP1 2517/4885EPHX1 1277/4885
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-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-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
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CYP2D6 2041/4885TDP1 2754/4885EPHX1 1355/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 CYP2D6 1142/4885TDP1 2165/4885EPHX1 743/4885

“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.