SCHEMBL10145014

SCHEMBL10145014

CC(C)(C)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SLC1A5 Q15758 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMO O15229 2/20 0.40
PGK1 P00558 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GRIN2B Q13224 2/20 0.37
S100A9 P06702 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL10064802 0.85 NOTUM (0.41) CYP2C19RXRARXRBRXRGSLC1A5
SCHEMBL10936074 0.85 MRGPRX4 (0.48) SLC1A5MRGPRX4
SCHEMBL13918953 0.81 KDM4E (0.49) CYP2C19KDM4ESMN1; SMN2CA1CA2
SCHEMBL12390582 0.79 PDE2A (0.51) KDM4ECA1CA2CA9
SCHEMBL799545 0.79 CYP2C19 (0.56) CYP2C19RXRARXRBRXRGKDM4E
SCHEMBL12828082 0.78 ALDH1A1 (0.43) CYP2C19KDM4ESMN1; SMN2CA1CA2
SCHEMBL12828080 0.78 CA1 (0.42) CYP2C19SMN1; SMN2CA1CA2CA9
SCHEMBL13698781 0.78 CA1 (0.42) CYP2C19SMN1; SMN2CA1CA2CA9
SCHEMBL17420529 0.77 KMO (0.49) CYP2C19KMOS100A9MRGPRX4
SCHEMBL29129639 0.77 SLC1A5 (0.39) SLC1A5KMOPGK1GRIN2BS100A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-11220479-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-11 US disclosed
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2022-01-04 US disclosed
US-11214563-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-04 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2021-07-27 US disclosed
US-9714221-B1 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2017-07-25 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 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 (13 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CYP2C19 565/4885RXRA 24/4885RXRB 137/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 CYP2C19 565/4885RXRA 24/4885RXRB 137/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2C19 4866/4885RXRA 4374/4885RXRB 3801/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP2C19 4866/4885RXRA 4374/4885RXRB 3801/4885
US-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 CYP2C19 18/4885RXRA 2068/4885RXRB 2018/4885
US-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine OPRM1, OPRD1, OPRK1 CYP2C19 1179/4885RXRA 811/4885RXRB 901/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A CYP2C19 3264/4885RXRA 1503/4885RXRB 1119/4885
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 CYP2C19 193/4885RXRA 231/4885RXRB 232/4885
US-11220479-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA CYP2C19 3713/4885RXRA 2943/4885RXRB 2752/4885
US-11214563-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C CYP2C19 1725/4885RXRA 1175/4885RXRB 444/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G CYP2C19 1700/4885RXRA 3601/4885RXRB 2874/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP2C19 167/4885RXRA 259/4885RXRB 254/4885
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase ERBB2, ERBB3, EGFR CYP2C19 1922/4885RXRA 3726/4885RXRB 3442/4885

“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.