SCHEMBL4185692

SCHEMBL4185692

CCC[C@H](NC(=O)c1ccccc1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1.N#Cc1ccccc1S(=O)(=O)N1CCOC(CNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc3ccccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.45
CTSS P25774 7/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
USP30 Q70CQ3 3/20 0.41
RAB9A P51151 1/20 0.36
CTSV O60911 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL5484032 0.93 RAB9A (0.41) CTSLCTSSCTSKCTSBUSP30
SCHEMBL4188282 0.89 CTSS (0.54) CTSLCTSSCTSKCTSBUSP30
SCHEMBL5487435 0.87 CTSL (0.40) CTSLCTSSCTSKCTSBRAB9A
SCHEMBL4178441 0.84 CTSL (0.47) CTSLCTSSCTSKCTSBRAB9A
SCHEMBL4188373 0.83 CTSS (0.39) CTSLCTSSCTSKCTSBRAB9A
SCHEMBL4175687 0.82 CNR1 (0.44) CTSLCTSSCTSKRAB9AALDH1A1
SCHEMBL4171001 0.81 ATM (0.41) RAB9AALDH1A1LMNAATMREN
SCHEMBL4181130 0.80 CTSS (0.48) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL4191791 0.80 CTSB (0.42) CTSLCTSSCTSKCTSBATM
SCHEMBL4171002 0.80 CTSL (0.49) CTSLCTSSCTSKCTSBUSP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 CTSL 867/4885CTSS 1717/4885CTSK 1738/4885

“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.