SCHEMBL15739728

SCHEMBL15739728

CN1CCc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.52
POLB P06746 2/20 0.48
GLA P06280 1/20 0.48
PNMT P11086 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.44
GPR119 Q8TDV5 6/20 0.43
NOTUM Q6P988 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
WDR5 P61964 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL17174804 0.90 ALDH1A1 (0.56) ROCK1POLBGLAPNMTMEN1
SCHEMBL3227479 0.86 CA12 (0.47) POLBGLAMEN1ALDH1A1GAA
SCHEMBL28457831 0.85 CA1 (0.56) ROCK1POLBGLAPNMTMEN1
SCHEMBL38660212 0.85 POLB (0.43) ROCK1POLBGLAMEN1ALDH1A1
SCHEMBL3200431 0.85 POLB (0.43) ROCK1POLBGLAMEN1ALDH1A1
SCHEMBL12905326 0.83 ROCK1 (0.50) ROCK1POLBGLAPNMTMAPT
SCHEMBL2625803 0.82 HTR2C (0.51) POLBGLAMEN1ALDH1A1GAA
SCHEMBL14266678 0.79 ROCK1 (0.49) ROCK1POLBGLAPNMTALDH1A1
SCHEMBL14256474 0.79 ROCK1 (0.49) ROCK1POLBGLAPNMTGAA
SCHEMBL10158484 0.79 PNMT (0.56) ROCK1PNMTCA12CA1CA2

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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 ROCK1 116/4885POLB 3901/4885GLA 3463/4885

“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.