SCHEMBL4171001

SCHEMBL4171001

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
REN P00797 1/20 0.35
BCHE P06276 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ACKR3 P25106 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
SCHEMBL4183317 0.96 ATM (0.40) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4185689 0.93 ATM (0.42) ATMALDH1A1HTR2AHTR2CRAB9A
SCHEMBL4191772 0.92 ATM (0.40) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4190119 0.92 ATM (0.40) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4188236 0.91 CTSS (0.40) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4183323 0.89 TSHR (0.44) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4179151 0.89 ALDH1A1 (0.41) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4179150 0.89 ALDH1A1 (0.41) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4185277 0.88 ATM (0.41) ATMALDH1A1MAPK1HTR2AHTR2C
SCHEMBL5487435 0.85 CTSL (0.40) ATMMAPK1RAB9AKMT2AKDM4E

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 ATM 4685/4885ALDH1A1 961/4885MAPK1 1920/4885

“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.