Sugi Predict

Sugi Predict / Compounds / SCHEMBL122568

SCHEMBL122568

SCHEMBL122568

CCCCOC(=O)[C@@H](N)CSC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ ATM Q13315 1/20 0.44
▸ TSHR P16473 6/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ EPHX1 P07099 1/20 0.36

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
SCHEMBL109500 0.93 NAAA (0.48) ALDH1A1TSHRHCAR2NOD1LMNA
SCHEMBL111057 0.93 NAAA (0.48) ALDH1A1TSHRHCAR2NOD1LMNA
SCHEMBL112044 0.93 NAAA (0.48) ALDH1A1TSHRHCAR2NOD1LMNA
SCHEMBL113442 0.93 NAAA (0.48) ALDH1A1TSHRHCAR2NOD1LMNA
SCHEMBL111374 0.93 NAAA (0.48) ALDH1A1TSHRHCAR2NOD1LMNA
SCHEMBL112731 0.89 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL112732 0.89 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL112730 0.89 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL113197 0.88 HCAR2 (0.35) ALDH1A1TSHRHCAR2NOD1LMNA
Hydrochloric Acid SCHEMBL28847980 0.87 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 — — US claimed
CN-105820138-A ABT-263 crystalline forms and solvates for use in treating BCL-2 protein related diseases ABBVIE 公司 2016-08-03 — — CN disclosed
US-8927009-B2 ABT-263 capsule ABBVIE INC. (US) 2015-01-06 — — US disclosed
US-8728516-B2 Stabilized lipid formulation of apoptosis promoter ABBVIE INC. (US) 2014-05-20 — — US disclosed
US-8513243-B2 ABT-263 crystalline forms ABBVIE INC. (US) 2013-08-20 — — US disclosed
US-8362014-B2 ABT-263 crystalline forms ABBVIE INC. (US) 2013-01-29 — — US disclosed
US-8362013-B2 Salt of ABT-263 and solid-state forms thereof ABBVIE INC. (US) 2013-01-29 — — US disclosed
CN-102802609-A Stable Nanoparticle Drug Suspensions ABBOTT LAB 2012-11-28 — — CN disclosed
EP-2515883-A1 ABT-263 CAPSULE Abbott Laboratories (US) 2012-10-31 — — EP disclosed
EP-2424499-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 — — EP disclosed
US-20110294811-A1 ABT-263 CRYSTALLINE FORMS ABBOTT LABORATORIES (US) 2011-12-01 — — US disclosed
WO-2011079127-A1 ABT-263 CAPSULE ABBOTT LABORATORIES (US) 2011-06-30 — — WO disclosed
US-20110159085-A1 ABT-263 CAPSULE ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-20110071151-A1 ABT-263 CRYSTALLINE FORMS ABBOTT LABORATORIES (US) 2011-03-24 — — US disclosed
US-20100323020-A1 STABLE NANOPARTICULATE DRUG SUSPENSION ABBOTT LABORATORIES (US) 2010-12-23 — — US disclosed
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF ABBVIE INC. 2010-12-02 — — US disclosed
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES 2010-11-25 — — US disclosed
WO-2010127198-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 — — WO disclosed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 — — WO disclosed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 — — 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 (7 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-20100323020-A1 STABLE NANOPARTICULATE DRUG SUSPENSION BCL2L10, TMBIM6, BCOR ALDH1A1 2745/4885ATM 3548/4885TSHR 4702/4885
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 ALDH1A1 3413/4885ATM 2253/4885TSHR 4131/4885
US-20110071151-A1 ABT-263 CRYSTALLINE FORMS BCL3, BCL2, BCL2L13 ALDH1A1 4262/4885ATM 466/4885TSHR 4387/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 ALDH1A1 4223/4885ATM 538/4885TSHR 4321/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR ALDH1A1 3985/4885ATM 2737/4885TSHR 4319/4885
US-20110294811-A1 ABT-263 CRYSTALLINE FORMS BCL3, BCL2, BCL2L13 ALDH1A1 4262/4885ATM 466/4885TSHR 4387/4885
US-20110159085-A1 ABT-263 CAPSULE BCL2, BCL2L13, BCL2L10 ALDH1A1 3188/4885ATM 480/4885TSHR 4432/4885

“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.