SCHEMBL2392981

SCHEMBL2392981

CC(C(=O)O)c1cccc(S)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.59
PTGS2 P35354 9/20 0.59
MAPT P10636 3/20 0.59
SLC22A6 Q4U2R8 3/20 0.59
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
HIF1A Q16665 2/20 0.59
RECQL P46063 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CXCL8 P10145 1/20 0.59
THPO P40225 1/20 0.59
AKR1C3 P42330 8/20 0.46

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
Phenol SCHEMBL31015754 0.92 PTGS1 (0.55) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL602096 0.86 PTGS2 (0.69) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL30808009 0.82 PTGS2 (0.43) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1345333 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1343681 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1343675 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL31606621 0.80 SRC (0.58) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL30599686 0.79 PTGS2 (0.50) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1492650 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1345440 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US claimed
EP-3044216-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2016-07-20 EP disclosed
WO-2015026990-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROLASE UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-02-26 WO disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7312266-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-12-25 US disclosed
US-20070066767-A1 Polyalkylene glycols NIPPON SHOKUBAI CO., LTD. (JP) 2007-03-22 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO disclosed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 US disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0403249-B1 Leukotriene antagonists SMITHKLINE BEECHAM CORP (US) 1994-04-27 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0037254-B1 ACETIC ACID DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1984-07-25 EP disclosed
US-4356186-A ANTIINFLAMMATORY, ANALGESIC, AND ANTIPYRETIC, AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-10-26 US disclosed
EP-0037254-A1 Acetic acid derivatives, process for the preparation thereof and composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1981-10-07 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 (2 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-20070066767-A1 Polyalkylene glycols PUF60, PARG, DGAT1 PTGS1 371/4885PTGS2 335/4885MAPT 2656/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 PTGS1 3372/4885PTGS2 4089/4885MAPT 1076/4885

“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.