SCHEMBL630541

SCHEMBL630541

OCc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
SLC13A3 Q8WWT9 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TACR1 P25103 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL17062167 0.85 IDO1 (0.41) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL265486 0.84 IDO1 (0.52) RXRARXRBRXRGPRKCAPRKCD
SCHEMBL15516391 0.79 SLC13A3 (0.40) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL30302522 0.79 IDO1 (0.44) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL1229494 0.79 IDO1 (0.39) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL257077 0.79 RAPGEF4 (0.41) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL19294284 0.79 GABRA1 (0.38) RXRARXRBRXRGMEN1CYP1A2
SCHEMBL5730059 0.79 IDO1 (0.44) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL1912907 0.79 IDO1 (0.39) SLC13A3IDO1MEN1PLA2G1BCYP1A2
SCHEMBL27401833 0.79 SLC13A3 (0.37) SLC13A3IDO1MEN1PLA2G1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908815-A Preparation method of 1- [ 3-chloro-5- (trifluoromethyl) phenyl ] -2, 2-trifluoro-ethanone 河北嘉伟生物科技有限公司 2024-11-08 CN claimed
CN-118908815-A Preparation method of 1- [ 3-chloro-5- (trifluoromethyl) phenyl ] -2, 2-trifluoro-ethanone 河北嘉伟生物科技有限公司 2024-11-08 CN disclosed
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-05-21 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10125098-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-11-13 US disclosed
US-20180265465-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-09-20 US disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 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 (10 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-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 RXRA 24/4885RXRB 137/4885RXRG 185/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 RXRA 24/4885RXRB 137/4885RXRG 185/4885
US-20180265465-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 RXRA 24/4885RXRB 137/4885RXRG 185/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR RXRA 3021/4885RXRB 2702/4885RXRG 2815/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 RXRA 1082/4885RXRB 1197/4885RXRG 998/4885
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors SLC6A4, TPH1, SLC6A2 RXRA 4770/4885RXRB 4630/4885RXRG 4705/4885
US-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF NR2C2, NR0B2, NR0B1 RXRA 131/4885RXRB 20/4885RXRG 155/4885
US-10125098-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 RXRA 24/4885RXRB 137/4885RXRG 185/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 RXRA 4770/4885RXRB 4630/4885RXRG 4705/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 RXRA 24/4885RXRB 137/4885RXRG 185/4885

“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.