SCHEMBL1189124

SCHEMBL1189124

COCc1cc(C(=O)N(C)OC)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.40
▸ HDAC8 Q9BY41 3/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR4A2 P43354 2/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ NR4A3 Q92570 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL1188390 0.88 F2R (0.39) MLYCDHDAC8ESRRGNR1H4EPHX2
SCHEMBL1204815 0.85 MLYCD (0.49) MLYCDHDAC8LMNAMAPTSMN1; SMN2
SCHEMBL2774266 0.85 MLYCD (0.49) MLYCDHDAC8LMNAMAPTSMN1; SMN2
SCHEMBL1188549 0.80 EPHX2 (0.39) NR1H4EPHX2CA1CA2POLB
SCHEMBL12187536 0.78 MLYCD (0.50) MLYCDHDAC8
SCHEMBL1204137 0.78 MLYCD (0.43) MLYCDHDAC8CA1CA2POLB
SCHEMBL1189205 0.77 GPBAR1 (0.41) MLYCDHDAC8POLBMAPTSMN1; SMN2
SCHEMBL9907156 0.77 GSK3B (0.39) CA1CA2POLBLMNAMRGPRX4
SCHEMBL1556278 0.75 SMN1; SMN2 (0.47) LMNAMRGPRX4MAPTSMN1; SMN2
SCHEMBL12187551 0.74 MLYCD (0.40) MLYCDHDAC8MAPTSMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 — — EP disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 — — US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 — — US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 — — US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 — — US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 — — US disclosed
EP-2240487-B1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2011-12-14 — — EP disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 — — US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
EP-2240487-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
EP-2240486-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
WO-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — 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 (4 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 MLYCD 4542/4885HDAC8 2985/4885ESRRG 2605/4885
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 MLYCD 4794/4885HDAC8 2897/4885ESRRG 1979/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 MLYCD 4804/4885HDAC8 2960/4885ESRRG 2091/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 MLYCD 4542/4885HDAC8 2985/4885ESRRG 2605/4885

“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.

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