SCHEMBL15834848

SCHEMBL15834848

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.47
▸ FPR2 P25090 4/20 0.44
▸ ATM Q13315 2/20 0.44
▸ ITGB3 P05106 3/20 0.44
▸ ITGAV P06756 2/20 0.44
▸ ITGA2B P08514 2/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CCR5 P51681 1/20 0.40

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
SCHEMBL15834853 0.89 MAPT (0.53) PPARGATMITGB3ITGAVKDM4E
SCHEMBL27406863 0.84 ACE (0.56) PPARGITGB3ITGAVITGA2BITGB1
SCHEMBL12643861 0.83 ITGB3 (0.52) FPR2ATMITGB3ITGAVITGA2B
SCHEMBL15834719 0.79 PPARG (0.42) PPARGITGB3ITGAVITGA2BITGB1
SCHEMBL2036189 0.77 CA1 (0.48) ITGB3ITGAVALDH1A1KDM4EMAPT
SCHEMBL12643655 0.77 MAPT (0.51) PPARGATMITGB3ITGAVKDM4E
SCHEMBL14576371 0.77 MAPT (0.51) PPARGATMITGB3ITGAVKDM4E
SCHEMBL12643659 0.77 MAPT (0.49) PPARGALDH1A1HDAC1HDAC6PPARA
SCHEMBL10890972 0.76 ITGB3 (0.61) PPARGITGB3ITGAVITGA2BITGB1
SCHEMBL25471843 0.75 ITGB3 (0.49) FPR2ITGB3ITGA2BITGB1ALDH1A1

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 3041/4885FPR2 632/4885ATM 4698/4885

“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.

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