SCHEMBL6911937

SCHEMBL6911937

CC(=O)c1csc(Br)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
GPR35 Q9HC97 4/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8074001 0.88 TSHR (0.38) TSHRGPR35GSK3BMAPT
SCHEMBL16212526 0.83 TSHR (0.63) TSHRGPR35GSK3BSMN1; SMN2NPC1
SCHEMBL16212689 0.78 TSHR (0.42) TSHRGSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL10678462 0.77 RAB9A (0.45) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL18499644 0.74 GSK3B (0.40) GSK3BSMN1; SMN2NPC1RAB9APOLB
SCHEMBL16414224 0.68 TSHR (0.40) TSHRGPR35GSK3BPOLBMAPT
SCHEMBL846067 0.68
SCHEMBL12261076 0.67 GPR35 (0.46) GPR35GSK3BPOLBMAPTALDH1A1
SCHEMBL15263400 0.67
SCHEMBL6803837 0.66 MAPT (0.51) SMN1; SMN2NPC1RAB9AGAAMAPT

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 TSHR 22/4885GPR35 337/4885GSK3B 3059/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 TSHR 15/4885GPR35 281/4885GSK3B 3045/4885

“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.