SCHEMBL10076110

SCHEMBL10076110

CCC(=O)Nc1cscc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.43
DPP4 P27487 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
BDKRB1 P46663 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL11817902 0.87 MAPK8 (0.57) MAPK10MAPK8MAPK9KMT2ADPP4
SCHEMBL19554555 0.85 MAPK10 (0.55) MAPK10MAPK8MAPK9KMT2AHTT
SCHEMBL3563299 0.85 MAPK10 (0.55) MAPK10MAPK8MAPK9KMT2AHTT
SCHEMBL8357991 0.85 MAPK10 (0.55) MAPK10MAPK8MAPK9KMT2AHTT
SCHEMBL11223756 0.84 MAPK10 (0.54) MAPK10MAPK8MAPK9KMT2AHTT
SCHEMBL2547132 0.83 MAPK8 (0.51) MAPK10MAPK8MAPK9KMT2ADPP4
SCHEMBL3551017 0.83 MAPK10 (0.53) MAPK10MAPK8MAPK9KMT2ADPP4
SCHEMBL8358025 0.81 MAPK10 (0.52) MAPK10MAPK8MAPK9KMT2AHTT
SCHEMBL6220756 0.81 MAPT (0.51) MAPK10MAPK8MAPK9KMT2APTPN1
SCHEMBL3960185 0.81 ALDH1A1 (0.51) MAPK10MAPK8MAPK9KMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 WO disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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 (2 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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPK10 2566/4885MAPK8 3558/4885MAPK9 2468/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 MAPK10 852/4885MAPK8 1513/4885MAPK9 920/4885

“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.