SCHEMBL3016672

SCHEMBL3016672

NC(=O)c1cc(Cl)c(C(=O)O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.42
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
HASPIN Q8TF76 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
TTR P02766 1/20 0.38
RHEB Q15382 1/20 0.37
GRIN1 Q05586 1/20 0.37
DAO P14920 1/20 0.36
ALOX15 P16050 2/20 0.36
TPMT P51580 1/20 0.35
BLM P54132 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3022139 0.80 TTR (0.38) CCNCCDK8HASPINCDK19TTR
SCHEMBL3017649 0.78 MAPK1 (0.39) MAP2K1CCNCCDK8HASPINCDK19
SCHEMBL29063173 0.77 CCNC (0.51) MAP2K1CCNCCDK8HASPINCDK19
SCHEMBL13070795 0.73 CCNC (0.49) MAP2K1CCNCCDK8HASPINCDK19
SCHEMBL3105456 0.71 NOTUM (0.39) TTRGRIN1DAO
SCHEMBL3023120 0.71 SMYD3 (0.47)
SCHEMBL3029318 0.68 NGFR (0.42) RHEBGRIN1DAOALOX15TPMT
SCHEMBL3022264 0.68 HCAR2 (0.41) TTRGRIN1DAOBLMMEN1
SCHEMBL28784268 0.67 LMNA (0.40) ALOX15MEN1LMNAKMT2AALDH1A1
SCHEMBL436330 0.66 NFKB1 (0.50) GRIN1DAOALOX15BLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
CN-101790313-A Compound (I) SMITHKLINE BEECHAM CORP 2010-07-28 CN 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MAP2K1 4263/4885CCNC 1032/4885CDK8 182/4885

“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.