SCHEMBL6050754

SCHEMBL6050754

CCOC(=O)c1sc(C(=O)O)c(-c2ccc(F)cc2)c1-c1ccc(SC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
MAPT P10636 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
GRM6 O15303 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
THRB P10828 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPK14 Q16539 1/20 0.42
LMNA P02545 2/20 0.42
PRKCZ Q05513 1/20 0.41
FNTA P49354 2/20 0.40

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
SCHEMBL6050727 1.00 KDM4E (0.49) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6050765 0.86 IKBKB (0.46) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL6050848 0.86 IKBKB (0.46) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL6050619 0.82 PTGS2 (0.60) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7932864 0.82 PTGS2 (0.49) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6050699 0.82 PTGS2 (0.60) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6050821 0.82 PTGS1 (0.43) NPC1ALDH1A1PKMMAPK1MAPK14
SCHEMBL6050674 0.80 PRKCZ (0.54) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20015818 0.78 MAPT (0.59) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20015932 0.76 BCL2L1 (0.52) KDM4EMAPTNPC1RAB9AALDH1A1

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 11 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
EP-0679157-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1995-11-02 EP disclosed
WO-1994015932-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1994-07-21 WO 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 KDM4E 2119/4885MAPT 4701/4885NPC1 2913/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 KDM4E 2050/4885MAPT 4783/4885NPC1 2861/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 KDM4E 2748/4885MAPT 4775/4885NPC1 3055/4885

“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.