SCHEMBL6804300

SCHEMBL6804300

O=C1CCc2c(Cl)sc(-c3ccc(F)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.36
MDM2 Q00987 5/20 0.36
HTT P42858 2/20 0.34
TYMP P19971 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDPK1 O15530 3/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 1/20 0.33
EPAS1 Q99814 3/20 0.32
ARNT P27540 2/20 0.32

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
SCHEMBL6804611 0.84 ESR1 (0.37) PTGS2PTGS1
SCHEMBL6804628 0.78 KDM4E (0.46) PTGS2
SCHEMBL6805294 0.78 KDM4E (0.46) PTGS2
SCHEMBL6804771 0.76 SRD5A1 (0.35) ALDH1A1PTGS1
SCHEMBL6801295 0.73 KDM4E (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL6803699 0.69 DRD4 (0.36) ALDH1A1HPGD
SCHEMBL31435592 0.68 LRRK2 (0.44) ALDH1A1HPGD
SCHEMBL6799224 0.66 MAPT (0.55) ALDH1A1HPGDHSD17B10
SCHEMBL6803879 0.64 KIF11 (0.47)
SCHEMBL31435578 0.63 DRD4 (0.44) ALDH1A1

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 TP53 3106/4885MDM2 3586/4885HTT 3261/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 TP53 3874/4885MDM2 4523/4885HTT 2168/4885

“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.