SCHEMBL4822757

SCHEMBL4822757

COc1ccc(NCCNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.52
SSTR3 P32745 2/20 0.47
CTSL P07711 7/20 0.45
MAPT P10636 1/20 0.45
CTSK P43235 8/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4827345 0.93 SSTR3 (0.53) CTSSSSTR3CTSLMAPTCTSK
SCHEMBL14193428 0.93 CTSS (0.61) CTSSSSTR3CTSLMAPTCTSK
SCHEMBL4825225 0.89 CXCR6 (0.49) CTSSSSTR3CTSLMAPTCTSK
SCHEMBL4826136 0.88 CTSS (0.53) CTSSSSTR3CTSLMAPTCTSK
SCHEMBL4821234 0.87 SSTR3 (0.47) CTSSSSTR3CTSLMAPTCTSK
SCHEMBL14193424 0.84 CTSS (0.61) CTSSSSTR3CTSLCTSKNPC1
SCHEMBL14193423 0.83 SSTR3 (0.43) CTSSSSTR3CTSLMAPTCTSK
SCHEMBL4801257 0.82 CTSL (0.63) CTSSCTSLCTSK
SCHEMBL4801248 0.82 CTSL (0.63) CTSSCTSLCTSK
SCHEMBL4801265 0.82 CTSL (0.63) CTSSCTSLCTSK

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 5 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 disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
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
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 CTSS 2/4885SSTR3 1379/4885CTSL 12/4885

“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.