SCHEMBL6050765

SCHEMBL6050765

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
UBE2N P61088 1/20 0.42
GRIA4 P48058 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GRIA2 P42262 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 3/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PTPN1 P18031 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6050848 1.00 IKBKB (0.46) IKBKBL3MBTL1NPC1TDP1UBE2N
SCHEMBL6050754 0.86 KDM4E (0.49) NPC1KDM4EMAPTTP53PTGS2
SCHEMBL6050727 0.86 KDM4E (0.49) NPC1KDM4EMAPTTP53PTGS2
SCHEMBL6050821 0.85 PTGS1 (0.43) L3MBTL1NPC1TDP1UBE2NGRIA4
SCHEMBL6050705 0.81 PTGS2 (0.52) IKBKBKDM4EPTGS2PTGS1HPGD
SCHEMBL20015932 0.78 BCL2L1 (0.52) IKBKBNPC1GRIA4KDM4EGRIA2
SCHEMBL6050721 0.78 FNTA (0.53) L3MBTL1TDP1KDM4EMAPTSLC6A3
SCHEMBL7869544 0.76 L3MBTL1 (0.43) IKBKBL3MBTL1NPC1TDP1UBE2N
Cyclopropane SCHEMBL11662565 0.74 FNTA (0.50) L3MBTL1TDP1KDM4EMAPTSLC6A3
Cyclopropane SCHEMBL11657747 0.74 PLA2G1B (0.52) GRIA4KDM4EMAPTSLC6A4SLC6A3

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 10 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
US-5684195-A SULFINIC ACID SALT INTERMEDIATE, OXIDATIVE AMINATION G. D. SEARLE & CO. (US) 1997-11-04 US 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 IKBKB 428/4885L3MBTL1 3506/4885NPC1 2913/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 IKBKB 410/4885L3MBTL1 3445/4885NPC1 2861/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 IKBKB 421/4885L3MBTL1 3731/4885NPC1 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.