SCHEMBL533031

SCHEMBL533031

COc1ccc2c[c]sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 2/20 0.45
CA2 P00918 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42
PDK1 Q15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL385641 0.85 BACE1 (0.49) CYP1A2CYP2A6CA2CYP3A4CYP2C19
SCHEMBL534075 0.80 KIF11 (0.35) CYP1A2CYP3A4HSD17B10SMN1; SMN2NPC1
SCHEMBL533036 0.80 KMT2A (0.46) CYP1A2CA2CYP3A4CYP2C19ALDH1A1
SCHEMBL533037 0.78 CA12 (0.48) CA2ALDH1A1KDM4ECA12CA1
SCHEMBL533265 0.78 CA12 (0.48) CYP1A2CA2CYP3A4CYP2C19ALDH1A1
SCHEMBL533345 0.77 NPC1 (0.46) CYP1A2CYP3A4KDM4EHSD17B10KMT2A
SCHEMBL533424 0.77 ALOX15 (0.34) CYP3A4CYP2C19ALDH1A1HPGDMEN1
SCHEMBL533531 0.76 XDH (0.40) CA2CYP2C19ALDH1A1KDM4EHPGD
SCHEMBL534840 0.75 CA12 (0.46) CA2CA12CA1CA7CA9
SCHEMBL533227 0.75 GPBAR1 (0.38) MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184614-A Substituted benzo five-membered unsaturated heterocyclic compounds, and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-14 CN claimed
EP-3176163-B1 NOVEL INDENE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR TREATING RETINAL DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT IAC IN NAT UNIV CHUNGNAM (KR) 2019-04-17 EP claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US claimed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP claimed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP claimed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US claimed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP claimed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP claimed
EP-0946499-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Athena Neurosciences, Inc. (US) 1999-10-06 EP claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
WO-1998022433-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US claimed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 CYP1A2 881/4885CYP2A6 1904/4885CA2 447/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP1A2 159/4885CYP2A6 215/4885CA2 355/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP1A2 220/4885CYP2A6 288/4885CA2 359/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP1A2 173/4885CYP2A6 43/4885CA2 79/4885

“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.