SCHEMBL4822258

SCHEMBL4822258

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
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 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 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
SCHEMBL4822252 0.88 EPHX2 (0.55) EPHX2ALDH1A1NPC1RAB9AKLK7
SCHEMBL24283531 0.86 SMN1; SMN2 (0.58) EPHX2ALDH1A1NPC1RAB9APOLB
SCHEMBL4817720 0.84 EPHX2 (0.50) EPHX2ALDH1A1RAB9APOLBHTT
SCHEMBL4823785 0.82 CTSK (0.50) EPHX2MAPT
SCHEMBL4820594 0.82 CTSK (0.50) EPHX2MAPT
SCHEMBL4826939 0.74 MTNR1A (0.43) EPHX2ALDH1A1NPC1RAB9APOLB
SCHEMBL1420593 0.73 POLB (0.64) ALDH1A1NPC1RAB9APOLBHTT
SCHEMBL4819490 0.73 EPHX2 (0.40) EPHX2ALDH1A1NPC1RAB9AEPHX1
SCHEMBL24283831 0.72 NPC1 (0.58) ALDH1A1NPC1RAB9APOLBHTT
SCHEMBL12931990 0.71 EPHX2 (1.00) EPHX2ALDH1A1NPC1RAB9AKLK7

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.