SCHEMBL7533708

SCHEMBL7533708

O=C(O)CCc1cccc(S(=O)(=O)c2cccc(-c3cccc(Nc4ncc[nH]4)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.58
ITGAV P06756 4/20 0.58
SYK P43405 8/20 0.51
RHOA P61586 1/20 0.42
NAMPT P43490 2/20 0.41
FFAR1 O14842 2/20 0.41
SIRT1 Q96EB6 1/20 0.40
HTR6 P50406 1/20 0.39
TTK P33981 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL5878294 0.75 ITGB3 (0.73) ITGB3ITGAVTTK
SCHEMBL17006499 0.67 SYK (1.00) SYK
SCHEMBL5127211 0.67 CYP26B1 (0.54) FFAR1HTR6
SCHEMBL23455427 0.67 AKR1C3 (0.59) SYKRHOA
SCHEMBL30073959 0.67 AKR1C3 (0.59) SYKRHOA
SCHEMBL4428876 0.65 ABCC4 (0.51) NAMPTFFAR1HTR6
SCHEMBL5068799 0.65 CA1 (0.65) FFAR1HTR6
SCHEMBL13667982 0.65 KEAP1 (0.53) FFAR1HTR6FFAR4
SCHEMBL29780326 0.64 RHOA (0.58) ITGB3SYKRHOAFFAR1SIRT1
SCHEMBL7347912 0.64 FFAR1 (0.69) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 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 (1 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-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 ITGB3 3/4885ITGAV 13/4885SYK 1593/4885

“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.