SCHEMBL6503624

SCHEMBL6503624

COC(=O)c1cc(F)cc(N2CCC(OS(C)(=O)=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.43
TTR P02766 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ABL1 P00519 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6495928 0.86 NOTUM (0.45) ALDH1A1KDM4EMAPTHPGD
SCHEMBL6498944 0.86 ABL1 (0.45) NPY5RTTRALDH1A1KDM4EMAPT
SCHEMBL6506081 0.82 ALDH1A1 (0.42) NPY5RTTRALDH1A1KDM4EMAPT
SCHEMBL6499902 0.79 ALDH1A1 (0.50) NPY5RTTRALDH1A1KDM4EMAPT
SCHEMBL6505327 0.79 KDM4E (0.48) TTRALDH1A1KDM4EMAPTKMT2A
SCHEMBL383256 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2ANPC1
SCHEMBL23662606 0.77 MRGPRX4 (0.49) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL7229124 0.77 ADRB1 (0.46) TTR
SCHEMBL6505768 0.77 MAOB (0.43) TTRALDH1A1KDM4EMAPTKMT2A
SCHEMBL19386229 0.76 MAPT (0.46) TTRALDH1A1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 NPY5R 313/4885TTR 3313/4885ALDH1A1 1967/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 NPY5R 880/4885TTR 1828/4885ALDH1A1 846/4885

“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.