SCHEMBL6804611

SCHEMBL6804611

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
BACE1 P56817 1/20 0.36
BRD4 O60885 1/20 0.34
TNKS O95271 4/20 0.34
PARP1 P09874 4/20 0.34
TNKS2 Q9H2K2 4/20 0.34
KIF11 P52732 3/20 0.34
WNT3A P56704 2/20 0.34
PARP2 Q9UGN5 3/20 0.34
PARP14 Q460N5 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
AXIN2 Q9Y2T1 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
AHR P35869 1/20 0.33
CASP3 P42574 1/20 0.33
DHODH Q02127 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 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
SCHEMBL6804300 0.84 TP53 (0.36) PTGS2PTGS1
SCHEMBL6803879 0.81 KIF11 (0.47) BACE1BRD4TNKSPARP1TNKS2
SCHEMBL6801295 0.72 KDM4E (0.43) BRD4
SCHEMBL6804771 0.70 SRD5A1 (0.35) BRD4PTGS1
SCHEMBL6803699 0.66 DRD4 (0.36)
SCHEMBL6799224 0.66 MAPT (0.55)
SCHEMBL6805294 0.66 KDM4E (0.46) PTGS2
SCHEMBL6804628 0.66 KDM4E (0.46) PTGS2
SCHEMBL6206012 0.65 KDR (0.47) BACE1TNKSPARP1TNKS2KIF11
SCHEMBL31435592 0.65 LRRK2 (0.44)

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 ESR1 935/4885BACE1 4041/4885BRD4 1515/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 ESR1 997/4885BACE1 3708/4885BRD4 1419/4885

“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.