SCHEMBL257117

SCHEMBL257117

C/C=C/c1cccc(F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.74
PTGS1 P23219 3/20 0.57
PTGS2 P35354 1/20 0.57
RELA Q04206 2/20 0.56
NQO2 P16083 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
CHRM5 P08912 1/20 0.54
GRM5 P41594 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
FBP1 P09467 1/20 0.53
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8175617 1.00 NFE2L2 (0.74) NFE2L2PTGS1PTGS2RELANQO2
SCHEMBL14634506 1.00 NFE2L2 (0.74) NFE2L2PTGS1PTGS2RELANQO2
SCHEMBL700537 0.85 NFE2L2 (1.00) NFE2L2PTGS1PTGS2RELANQO2
SCHEMBL31317689 0.85 NFE2L2 (1.00) NFE2L2PTGS1PTGS2RELANQO2
SCHEMBL700536 0.85 NFE2L2 (1.00) NFE2L2PTGS1PTGS2RELANQO2
SCHEMBL29033283 0.83 CNR2 (0.50) NFE2L2RELACYP3A4FBP1KDM4E
SCHEMBL335941 0.83 CNR2 (0.50) NFE2L2RELACYP3A4FBP1KDM4E
SCHEMBL335942 0.83 CNR2 (0.50) NFE2L2RELACYP3A4FBP1KDM4E
SCHEMBL1043979 0.81
SCHEMBL9849735 0.81 NFE2L2 (0.91) NFE2L2PTGS1PTGS2RELANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658945-A A kind of Antitubulin(VDA-1)A crystal forms 深圳海王医药科技研究院有限公司 2018-10-16 CN claimed
CN-108299399-A A kind of crystal form of small molecule immune compound, preparation method and the pharmaceutical composition containing it 深圳海王医药科技研究院有限公司 2018-07-20 CN claimed
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
CN-109030642-A A kind of measuring method of dehydrophenylahistin analog and its isomers 深圳海王医药科技研究院有限公司 2018-12-18 CN disclosed
US-20180011405-A1 RESIST UNDERLAYER FILM COMPOSITION, PATTERNING PROCESS, METHOD FOR FORMING RESIST UNDERLAYER FILM, AND COMPOUND FOR RESIST UNDERLAYER FILM COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-11 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-9126973-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-08 US disclosed
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-04-09 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
CN-101472913-A Prodrugs of cinnamide compounds EISAI R&D MAN CO LTD (JP) 2009-07-01 CN disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
CN-101312965-A Morpholine type cinnamamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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 (8 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 NFE2L2 822/4885PTGS1 955/4885PTGS2 465/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NFE2L2 702/4885PTGS1 1901/4885PTGS2 1748/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 NFE2L2 2178/4885PTGS1 1420/4885PTGS2 2221/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 NFE2L2 2483/4885PTGS1 1834/4885PTGS2 2964/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 NFE2L2 822/4885PTGS1 955/4885PTGS2 465/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 NFE2L2 909/4885PTGS1 623/4885PTGS2 1916/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES NFE2L2 136/4885PTGS1 4/4885PTGS2 5/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NFE2L2 628/4885PTGS1 1988/4885PTGS2 1720/4885

“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.