SCHEMBL2231383

SCHEMBL2231383

O=[C]c1ccc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.54
LDHA P00338 1/20 0.50
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CTRB1 P17538 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
SCHEMBL7940388 0.79 PTPN22 (0.54) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL3076721 0.79 PTPN22 (0.54) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL10427612 0.78 ALDH1A1 (0.48) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3441131 0.77 ALDH1A1 (0.46) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL28497043 0.76 PTPN22 (0.50) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL9669191 0.75 CYP2A6 (0.54) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL8183400 0.75 POLB (0.50) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL9669197 0.75 TSHR (0.54) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL4899928 0.75 HSD17B10 (0.55) LDHAHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL19283198 0.75 PTPN22 (0.48) PTPN22LDHAHSD17B10ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620987-A Amino acid derivatives HOFFMANN-LA ROCHE INC. (US) 1997-04-15 US claimed
US-5446161-A Protease inhibitor, viricides HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US claimed
EP-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP claimed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP claimed
WO-2022199707-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF PIMAVANSERIN, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 上海博志研新药物技术有限公司 2022-09-29 WO disclosed
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
US-5652369-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1997-07-29 US disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed
US-5620987-A Amino acid derivatives HOFFMANN-LA ROCHE INC. (US) 1997-04-15 US disclosed
US-5554756-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1996-09-10 US disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP 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 (1 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM PTPN22 4152/4885LDHA 1697/4885HSD17B10 2264/4885

“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.