SCHEMBL4179151

SCHEMBL4179151

CC[C@H](C)[C@H](NC(=O)CCC1CCCC1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.34
F2RL1 P55085 2/20 0.34
HTT P42858 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
SCHEMBL4179150 1.00 ALDH1A1 (0.41) ALDH1A1ATMGAATSHRHTR2A
SCHEMBL4183323 0.94 TSHR (0.44) ALDH1A1ATMGAATSHRHTR2A
SCHEMBL4171001 0.89 ATM (0.41) ALDH1A1ATMTSHRHTR2AHTR2C
SCHEMBL4190119 0.88 ATM (0.40) ALDH1A1ATMGAATSHRHTR2A
SCHEMBL4191772 0.88 ATM (0.40) ALDH1A1ATMGAATSHRHTR2A
SCHEMBL4183317 0.87 ATM (0.40) ALDH1A1ATMTSHRHTR2AHTR2C
SCHEMBL4185689 0.87 ATM (0.42) ALDH1A1ATMHTR2AHTR2CRAB9A
SCHEMBL4185277 0.86 ATM (0.41) ALDH1A1ATMTSHRHTR2AHTR2C
SCHEMBL4188234 0.85 CTSL (0.44) ATMGAATSHRRAB9ALMNA
SCHEMBL4188233 0.85 CTSL (0.44) ATMGAATSHRRAB9ALMNA

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 ALDH1A1 961/4885ATM 4685/4885GAA 4234/4885

“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.