SCHEMBL4188430

SCHEMBL4188430

CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PHGDH O43175 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
CNR2 P34972 2/20 0.33
ATM Q13315 1/20 0.33
F10 P00742 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL4187902 0.88 CTSL (0.46) TRPA1CTSLCTSSKDM4EALDH1A1
SCHEMBL4191695 0.88 TRPA1 (0.38) TRPA1CTSLCTSSKDM4EALDH1A1
SCHEMBL4188234 0.86 CTSL (0.44) GAATSHRCTSLCTSSKDM4E
SCHEMBL4188233 0.86 CTSL (0.44) GAATSHRCTSLCTSSKDM4E
SCHEMBL4178278 0.85 CTSB (0.40) GAATSHRCTSS
SCHEMBL4179150 0.80 ALDH1A1 (0.41) GAATSHRALDH1A1HTTHSD17B10
SCHEMBL4179151 0.80 ALDH1A1 (0.41) GAATSHRALDH1A1HTTHSD17B10
SCHEMBL4178256 0.79 CTSL (0.44) GAACTSLCTSSALDH1A1HTT
SCHEMBL4188253 0.78 CTSL (0.43) TRPA1CTSLCTSSALDH1A1PHGDH
SCHEMBL4186149 0.78 TRPA1 (0.46) TRPA1GAATSHRCTSLCTSS

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-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
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO 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 TRPA1 6/4885GAA 4234/4885TSHR 1343/4885

“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.