SCHEMBL15834851

SCHEMBL15834851

CCOC(=O)[C@H](Cc1ccc(COc2ccccc2)c(OCc2ccccc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.52
▸ SCN9A Q15858 1/20 0.51
▸ BCL2 P10415 3/20 0.50
▸ YAP1 P46937 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ CTSS P25774 4/20 0.46
▸ CTSB P07858 3/20 0.46
▸ CTSK P43235 3/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ REN P00797 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ PSMB9 P28065 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ PSMB10 P40306 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
SCHEMBL14644454 0.90 SCN9A (0.47) PTPN1SCN9ABCL2TACR1CTSS
SCHEMBL14577322 0.89 PPARA (0.50) PTPN1SCN9ABCL2TACR1CTSS
SCHEMBL12643654 0.89 PPARA (0.50) PTPN1SCN9ABCL2TACR1CTSS
SCHEMBL14576372 0.88 ACE (0.53) PTPN1SCN9ABCL2YAP1CTSS
SCHEMBL3723164 0.88 BCL2 (0.62) PTPN1BCL2YAP1CTSSCTSB
SCHEMBL15834863 0.87 MAPT (0.48) PTPN1SCN9APSMB1PSMB8PSMB9
SCHEMBL15832202 0.86 LMNA (0.48) PPARAACE
SCHEMBL9589336 0.83 PPARA (0.52) PTPN1BCL2TACR1CTSSCTSB
SCHEMBL9589331 0.83 PPARA (0.52) PTPN1BCL2TACR1CTSSCTSB
SCHEMBL15832199 0.82 ATM (0.57) PPARA

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 1 patent. 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

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 PTPN1 477/4885SCN9A 3312/4885BCL2 1200/4885

“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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