SCHEMBL4822252

SCHEMBL4822252

COc1ccc(NC(=O)CNC(=O)[C@@H]2CCCC[C@@H]2C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
KLK7 P49862 1/20 0.48
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
EPHX1 P07099 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.45
CYP2C19 P33261 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
SCHEMBL4822258 0.88 EPHX2 (0.55) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4817714 0.84 MAPT (0.50) EPHX2ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL4820586 0.82 CTSK (0.50) EPHX2SMN1; SMN2
SCHEMBL4823780 0.82 CTSK (0.50) EPHX2SMN1; SMN2
SCHEMBL4826932 0.74 MTNR1A (0.43) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1420593 0.73 POLB (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL24283531 0.73 SMN1; SMN2 (0.58) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4819482 0.73 SMN1; SMN2 (0.41) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27601529 0.72 POLB (0.46) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4868745 0.72 L3MBTL1 (0.61) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2

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-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF EPHX2 4212/4885ALDH1A1 1616/4885NPC1 68/4885

“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.