SCHEMBL6050741

SCHEMBL6050741

Cc1ccc(C(=O)C(=O)c2ccc(C=S)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.67
CES1 P23141 3/20 0.67
MAPT P10636 3/20 0.50
ALDH1A1 P00352 6/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NLRP1 Q9C000 1/20 0.48
MEN1 O00255 1/20 0.48
NTSR1 P30989 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44

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
Methyl Alcohol SCHEMBL11764328 0.82 CYP2A6 (0.48) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL167254 0.82 CES2 (1.00) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL316955 0.82
SCHEMBL6050895 0.81 CES2 (0.65) CES2CES1ALDH1A1PKMATM
SCHEMBL6050735 0.79 CES2 (0.67) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL19508475 0.76 CES2 (0.52) CES2CES1MAPTLMNAATM
SCHEMBL2121919 0.76 MAPT (0.46) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL4260933 0.76 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7506335 0.75 SRD5A2 (0.48) MAPTALDH1A1HTTLMNAPKM
SCHEMBL9420272 0.75 CES2 (0.84) CES2CES1ALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030153-B2 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2006-04-18 US disclosed
US-7012094-B1 Substituted furans and furanones for the treatment of inflammation G.D. SEARLE, LLC (US) 2006-03-14 US disclosed
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2003-08-14 US disclosed
US-6599934-B1 Effective and safe compounds having antiinflammatory and/or analgesic activity without erosion of the stomach G.D. SEARLE & CO. 2003-07-29 US disclosed
US-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6492413-B2 FOR USE IN THERAPY OF PAIN, ARTHRITIS, FEVER G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents TALLEY JOHN J (US) 2002-05-16 US disclosed
US-6274590-B1 ADMINISTERING 3,4-DIARYLTHIOPHENE DERIVATIVE TO TREAT ECZEMA, BURNS, PSORIASIS, AND DERMATITIS G. D. SEARLE & CO. 2001-08-14 US disclosed
EP-0679157-B1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 1997-11-19 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 (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-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents NR3C1, FPR1, IL1B CES2 2654/4885CES1 179/4885MAPT 4701/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 CES2 1751/4885CES1 75/4885MAPT 4783/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 CES2 2119/4885CES1 155/4885MAPT 4775/4885

“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.