SCHEMBL14617671

SCHEMBL14617671

Cc1ccc(CNC(=O)NCC(=O)N2CCCC(C(=O)N3CCCC3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 1/20 0.64
▸ RAB9A P51151 2/20 0.56
▸ PPID Q08752 1/20 0.56
▸ EPHX2 P34913 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL12643750 0.89 PPIB (0.73) PPIBRAB9APPIDALDH1A1HPGD
SCHEMBL14617666 0.86 PPIB (0.85) PPIBRAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL15832190 0.86 PPID (0.73) PPIBRAB9APPIDEPHX2SMN1; SMN2
SCHEMBL14617668 0.85 PPIB (0.59) PPIBRAB9APPIDEPHX2POLB
SCHEMBL15832157 0.85 PPID (0.75) PPIBRAB9APPIDEPHX2SMN1; SMN2
SCHEMBL2036896 0.79 PPIB (1.00) PPIBRAB9APPIDPOLBSMN1; SMN2
SCHEMBL16270323 0.78 PPID (0.57) PPIBRAB9APPIDEPHX2POLB
SCHEMBL15832148 0.76 PPIB (0.52) PPIBRAB9AEPHX2POLBSMN1; SMN2
SCHEMBL14617670 0.75 PPID (0.53) PPIBRAB9APPIDSMN1; SMN2ALDH1A1
SCHEMBL15022357 0.75 RAB9A (0.77) RAB9AEPHX2POLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 — — 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 (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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 PPIB 51/4885RAB9A 4312/4885PPID 73/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPIB 51/4885RAB9A 4312/4885PPID 73/4885

“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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