SCHEMBL18711331

SCHEMBL18711331

CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C(C)=O)CC2)s1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.49
SPR P35270 1/20 0.49
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
PIK3CG P48736 6/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CB P42338 3/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
LPAR4 Q99677 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL18711341 0.88 SPR (0.47) LPAR2SPRPOLBALDH1A1RORA
SCHEMBL7092512 0.85 LPAR2 (0.47) LPAR2SPRPOLBALDH1A1LMNA
SCHEMBL16442330 0.85 LPAR2 (0.47) LPAR2SPRPOLBALDH1A1RORA
SCHEMBL18711916 0.82 SPR (0.44) SPRPOLBALDH1A1GAAKMT2A
SCHEMBL7095074 0.81 MAPK1 (0.47) LPAR2SPRPOLBALDH1A1LMNA
SCHEMBL1939763 0.79 PIK3CG (0.46) LPAR2SPRPOLBALDH1A1RORA
SCHEMBL1939762 0.79 PIK3CG (0.46) LPAR2SPRPOLBALDH1A1RORA
SCHEMBL1237270 0.79 PIK3CG (0.47) POLBALDH1A1GAAKMT2ALMNA
SCHEMBL1000182 0.76 HTT (0.45) LPAR2SPRALDH1A1GAAKMT2A
SCHEMBL4854398 0.74 PIK3CG (0.50) ALDH1A1KMT2ARORARORCRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR LPAR2 2029/4885SPR 1/4885POLB 2800/4885

“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.