SCHEMBL15834719

SCHEMBL15834719

CC(=O)Oc1ccc(CC(NS(=O)(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)C(=O)O)cc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.39
▸ CCR5 P51681 4/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ITGB5 P18084 1/20 0.34

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
SCHEMBL15834848 0.79 PPARG (0.47) PPARGCCR5PPARAHDAC1HDAC6
SCHEMBL15834853 0.74 MAPT (0.53) PPARGCCR5ITGB3ITGAV
SCHEMBL27406863 0.73 ACE (0.56) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL12643646 0.71 CA1 (0.55) PPARGCA12CA7CA14CA1
SCHEMBL4113510 0.70 REN (0.48) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL4113505 0.70 REN (0.48) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL27406858 0.68 PPARA (0.50) PPARGPPARA
SCHEMBL14798779 0.67 CA12 (0.72) PPARGCA12CA7CA14CA1
SCHEMBL12643770 0.66 CA1 (0.70) CA12CA7CA14CA1CA9
SCHEMBL1214821 0.66 ALOX15 (0.39) PPARGCCR5INSRIGF1RITGB3

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-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 PPARG 3041/4885CA12 1472/4885CA7 696/4885

“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.

Send feedback