SCHEMBL3580030

SCHEMBL3580030

CC(C)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
HSD17B10 Q99714 2/20 0.63
ALDH1A1 P00352 3/20 0.52
TP53 P04637 1/20 0.52
SERPINE1 P05121 5/20 0.51
ACLY P53396 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3583643 0.83 ABL1 (0.53) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL10800720 0.83 MAPT (0.64) KDM4EALDH1A1TP53SERPINE1GAA
SCHEMBL13430144 0.81 MEN1 (0.54) ALDH1A1CA1AKR1C3AKR1C2PPARG
SCHEMBL1397682 0.80 KDM4E (0.71) KDM4EHSD17B10ALDH1A1TP53SERPINE1
SCHEMBL3825804 0.80 KDM4E (0.69) KDM4EHSD17B10ALDH1A1SERPINE1ACLY
SCHEMBL11604753 0.80 KDM4E (0.68) KDM4EHSD17B10ALDH1A1TP53SERPINE1
SCHEMBL15635805 0.79 KEAP1 (0.49) KDM4EHSD17B10ALDH1A1CA1CA2
SCHEMBL13460162 0.78 KDM4E (0.66) KDM4EHSD17B10ALDH1A1TP53SERPINE1
SCHEMBL9681911 0.78 KDM4E (0.66) KDM4EHSD17B10ALDH1A1TP53SERPINE1
SCHEMBL13823615 0.78 KDM4E (0.65) KDM4EHSD17B10ALDH1A1SERPINE1ACLY

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 10 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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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 (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 KDM4E 3536/4885HSD17B10 4680/4885ALDH1A1 1295/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC KDM4E 1828/4885HSD17B10 2275/4885ALDH1A1 1414/4885

“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.