SCHEMBL4799580

SCHEMBL4799580

NC(=O)C(CNc1ccc(OCc2ccccc2)cc1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.43
LTA4H P09960 3/20 0.42
ALDH1A1 P00352 1/20 0.42
DHODH Q02127 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CACNA1B Q00975 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL4797850 0.85 MME (0.36) CTSSCTSKKMT2A
SCHEMBL4801077 0.84 EPHX2 (0.47) RAB9ACTSSCTSKNPC1ALDH1A1
SCHEMBL3014755 0.84 EPHX2 (0.47) RAB9ACTSSCTSKNPC1ALDH1A1
SCHEMBL3020738 0.83 EPHX2 (0.46) CTSSCTSK
SCHEMBL4796236 0.82 MAPT (0.45) CTSSCTSKSMN1; SMN2ALDH1A1
SCHEMBL4798052 0.82 CTSS (0.38) RAB9ACTSSCTSKNPC1SMN1; SMN2
SCHEMBL4800843 0.82 CTSS (0.51) CTSSCTSKALDH1A1KDM4E
SCHEMBL4796652 0.81 EPHX1 (0.40) RAB9ACTSSCTSKNPC1KMT2A
SCHEMBL4802535 0.79 CA2 (0.43) RAB9AALDH1A1KMT2A
SCHEMBL4799975 0.79 CTSL (0.43) CTSSCTSKALDH1A1KMT2A

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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ RAB9A 905/4885CTSS 1/4885CTSK 9/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ RAB9A 905/4885CTSS 1/4885CTSK 9/4885

“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.