SCHEMBL2534699

SCHEMBL2534699

C[CH]SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRMT1 Q99873 1/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 4/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CALM1 P0DP23 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C19 P33261 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
SCHEMBL12203818 0.81 MAOB (0.42) MAOBCYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8374192 0.79 MAOB (0.50) MAOBCYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8374191 0.79 MAOB (0.50) MAOBCYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8541497 0.79 MAOB (0.50) MAOBCYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8374190 0.79 MAOB (0.50) MAOBCYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8413210 0.78 IDO1 (0.47) CYP1A2IDO1GAATAAR1TDP1
SCHEMBL8722949 0.78 CYP1A2 (0.45) MAOBCYP1A2CYP2D6TP53NOS1
SCHEMBL934485 0.76 TP53 (0.44) MAOBCYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8412647 0.76 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL2723228 0.75 MAOB (0.46) MAOBCYP1A2CYP3A4CYP2D6PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114247566-A High-sulfur bauxite desulfurization and desilication flotation collecting agent and integrated flotation method 中南大学 2022-03-29 CN claimed
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
US-6953850-B1 Protecting groups for carbohydrate synthesis ALCHEMIA PTY. LTD. (AU) 2005-10-11 US claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP claimed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP claimed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US claimed
JP-2002539191-A 2002-11-19 JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP claimed
US-6096836-A OXYGEN CONTAINING AROMATIC CATALYST AND ALUMINUM COMPOUND KABUSHIKI KAISHA TOSHIBA (JP) 2000-08-01 US claimed
WO-1997006153-A1 4-ALKYL-1,3-OXA(THIA)ZOLINE DERIVATIVES, THEIR PREPARATION AND USE FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 WO claimed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US claimed
US-4818749-A Carboxyalkyl dipeptides and medical use thereof in treating hypertension and congestive heart failure SCHERING CORPORATION (US) 1989-04-04 US claimed
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP claimed
EP-0093010-B1 ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP claimed
US-4544652-A α-Hydroxyethylphosphinates, and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-01 US claimed
EP-0093010-A2 Alpha-hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP claimed
US-3953437-A Process of preparing cephalosporanic acid ester derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 US claimed
US-3935198-A BY HEATING THE PENICILLIN SULFOXIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAOB 1051/4885CYP1A2 2894/4885CYP3A4 1185/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAOB 1051/4885CYP1A2 2894/4885CYP3A4 1185/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 MAOB 1051/4885CYP1A2 2894/4885CYP3A4 1185/4885

“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.