SCHEMBL12643659

SCHEMBL12643659

CC(NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ CYP17A1 P05093 1/20 0.47
▸ TSHR P16473 3/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL12643657 0.87 MAPT (0.51) MAPTL3MBTL1TDP1XBP1NPSR1
SCHEMBL12643841 0.81 PPID (0.53) MAPTTDP1NAMPTCYP17A1MAPKAPK2
SCHEMBL3462483 0.81 NPC1 (0.60) MAPTNAMPTMAPKAPK2PTPN1NPC1
SCHEMBL2036189 0.80 CA1 (0.48) MAPTTDP1NAMPTPTPN1ALDH1A1
SCHEMBL19882170 0.79 PPID (0.51) MAPTTDP1NAMPTCYP17A1EPHX2
SCHEMBL16523129 0.79 CYP17A1 (0.56) MAPTTDP1NAMPTCYP17A1EPHX2
SCHEMBL21781975 0.79 NAMPT (0.50) MAPTTDP1XBP1NPSR1GPR55
SCHEMBL12643861 0.78 ITGB3 (0.52) MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL8245694 0.78 CYP17A1 (0.54) MAPTTDP1NAMPTCYP17A1EPHX2
SCHEMBL8373344 0.77 CYP17A1 (0.47) NAMPTCYP17A1PPARGPPARANPC1

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 4 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
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — WO 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 MAPT 3890/4885L3MBTL1 3342/4885TDP1 4285/4885

“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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