SCHEMBL9940032

SCHEMBL9940032

CC(C)(C)C(=O)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.64
NR1H4 Q96RI1 1/20 0.64
HDAC6 Q9UBN7 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA14 Q9ULX7 1/20 0.54
HTR2C P28335 3/20 0.52
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.52
VNN1 O95497 1/20 0.50
CA12 O43570 1/20 0.49
PPARD Q03181 1/20 0.48
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLA2G1B P04054 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL26417582 0.87 HDAC6 (0.58) EPHX2NR1H4HDAC6CA1CA2
SCHEMBL3966634 0.84 EPHX2 (0.63) EPHX2NR1H4HDAC6CA1CA2
SCHEMBL27859550 0.83 EPHX2 (0.62) EPHX2NR1H4HDAC6CA1CA2
SCHEMBL6635990 0.82 EPHX2 (0.61) EPHX2NR1H4CA1CA2CA7
SCHEMBL14254916 0.82 NPC1 (0.61) EPHX2NR1H4HDAC6CA1CA2
SCHEMBL934006 0.81 EPHX2 (0.60) EPHX2NR1H4CA1CA2CA7
SCHEMBL6665002 0.81 EPHX2 (0.59) EPHX2NR1H4CA1CA2CA7
SCHEMBL12864485 0.80 EPHX2 (0.59) EPHX2NR1H4CA1CA2CA7
SCHEMBL2094064 0.79 EPHX2 (0.60) EPHX2NR1H4HTR2CPPARAPPARG
SCHEMBL933617 0.79 EPHX2 (0.58) EPHX2NR1H4CA1CA2CA7

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-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES EPHX2 142/4885NR1H4 365/4885HDAC6 3670/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 EPHX2 791/4885NR1H4 100/4885HDAC6 888/4885

“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.