SCHEMBL6803577

SCHEMBL6803577

CC(=O)c1sc(Br)c(Br)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.47
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.35
HSD17B10 Q99714 1/20 0.33
GSK3B P49841 1/20 0.32
IKBKB O14920 1/20 0.31
MAP3K14 Q99558 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4753776 0.82 GPR35 (0.68) GPR35HPGDALDH1A1PTPN1PKM
SCHEMBL16172596 0.80 GPR35 (0.46) GPR35HPGDALDH1A1PTPN1HSD17B10
SCHEMBL1973056 0.77 MAPT (0.50) GPR35HPGDALDH1A1HSD17B10KMT2A
SCHEMBL3130253 0.77 GPR35 (0.43) GPR35HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL5271074 0.74 MAPT (0.53) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6798833 0.71 GPR35 (0.34) GPR35HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL23531534 0.70 POLB (0.45) GPR35HPGDALDH1A1PTPN1KMT2A
SCHEMBL25472450 0.69 ALDH1A1 (0.40) GPR35HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL319190 0.68 GPR35 (0.57) GPR35HPGDALDH1A1PTPN1PKM
SCHEMBL10144278 0.67 GPR35 (0.73) GPR35HPGDALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR GPR35 337/4885HPGD 1176/4885ALDH1A1 789/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 GPR35 281/4885HPGD 1006/4885ALDH1A1 729/4885

“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.