SCHEMBL322980

SCHEMBL322980

Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.63
ESR1 P03372 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B1 P14061 2/20 0.57
HSD17B2 P37059 2/20 0.57
ESR2 Q92731 2/20 0.57
MAOB P27338 1/20 0.56
KDM1A O60341 1/20 0.54
ABL1 P00519 1/20 0.53
ABCB1 P08183 1/20 0.53
BCR P11274 1/20 0.53
PTPN1 P18031 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PTPN5 P54829 1/20 0.49
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
PGR P06401 1/20 0.47
ASIC3 Q9UHC3 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
SCHEMBL26827704 0.87 MAOB (0.62) KIF11MAOBKDM1APTPN1PTPN5
SCHEMBL1029849 0.86 HSD17B1 (0.58) KIF11ESR1HSD17B1HSD17B2ESR2
SCHEMBL16068255 0.85 KIF11 (0.67) KIF11MAOBKDM1APTPN1PGR
SCHEMBL24106776 0.85 KIF11 (0.67) KIF11MAOBKDM1APTPN1PTPN5
SCHEMBL26821704 0.85 KIF11 (0.67) KIF11MAOBKDM1APTPN1PTPN5
SCHEMBL1263144 0.85 TSHR (0.58) KIF11MAOBKDM1APGRASIC3
SCHEMBL29678302 0.85 TSHR (0.58) KIF11MAOBKDM1APGRASIC3
SCHEMBL29319720 0.84 ABL1 (0.53) KIF11ESR1HSD17B1HSD17B2ESR2
SCHEMBL26821702 0.83 MAOB (0.59) KIF11MAOBKDM1APTPN1PTPN5
SCHEMBL29420699 0.83 KIF11 (0.62) KIF11MAOBKDM1APTPN1PTPN5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003076-B A method of preparing 2- (rosickyite base) -3- (trifluoromethyl) phenol in micro-structured reactor 淮安国瑞化工有限公司 2019-03-05 CN disclosed
CN-108003076-A One kind prepares 2- in micro-structured reactor(Rosickyite base)-3-(Trifluoromethyl)The method of phenol 淮安国瑞化工有限公司 2018-05-08 CN disclosed
US-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER (US) 2017-09-28 US disclosed
US-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER (US) 2017-09-28 US disclosed
CN-103842341-B Estrogen receptor ligands 卡罗生物股份公司 2017-05-31 CN disclosed
EP-3148992-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Inc. (US) 2017-04-05 EP disclosed
CN-104804444-B A kind of preparation method of resistant to elevated temperatures anti-rutting additive 佛山市天润沥青混凝土有限公司 2016-11-09 CN disclosed
CN-105754519-A Preparation method for sealing adhesive for paper packaging 苏州市鼎立包装有限公司 2016-07-13 CN disclosed
WO-2015181797-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER INC. (US) 2015-12-03 WO disclosed
WO-2015181797-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER INC. (US) 2015-12-03 WO disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
WO-2011034828-A1 SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E KIF11 3321/4885ESR1 2895/4885MEN1 2568/4885
US-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN2B KIF11 3676/4885ESR1 2724/4885MEN1 4214/4885

“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.