SCHEMBL10076880

SCHEMBL10076880

CCC(=O)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
EPHX1 P07099 1/20 0.39
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP12 P39900 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
CCR6 P51684 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL7240710 0.83 HDAC3 (0.43) CA1CA2EPHX1MMP2MMP9
SCHEMBL22503073 0.79 EPHX1 (0.47) CA1CA2EPHX1SMN1; SMN2MEN1
SCHEMBL24990010 0.79 CA1 (0.46) CA1CA2MMP2MMP9MEN1
SCHEMBL13672739 0.79 MEN1 (0.36) CA1CA2MAPK1SMN1; SMN2MEN1
SCHEMBL27552476 0.79 CA1 (0.44) CA1CA2EPHX1MMP2MMP9
SCHEMBL18969615 0.78 CA1 (0.44) CA1CA2EPHX1MMP2MMP9
SCHEMBL22503072 0.78 EPHX1 (0.50) CA1CA2EPHX1MAPK1MEN1
SCHEMBL22503294 0.77 CA1 (0.42) CA1CA2EPHX1MMP2MMP9
SCHEMBL22503265 0.77 CA1 (0.42) CA1CA2EPHX1MMP2MMP9
SCHEMBL3928422 0.77 CA2 (0.42) CA1CA2EPHX1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023172726-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-09-14 WO disclosed
US-20230240297-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CYPROSULFAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2023-08-03 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
EP-3968343-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND SILICON MATERIAL PARTICLE Shin-Etsu Chemical Co., Ltd. (JP) 2022-03-16 EP disclosed
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-10792489-B2 Bio-electrode composition, bio-electrode, and method for manufacturing the bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-06 US disclosed
CN-110785408-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-11 CN disclosed
WO-2017100558-A1 IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2017-06-15 WO disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 WO disclosed
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA (ES) 2012-09-20 US disclosed
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US disclosed
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
US-8022102-B2 Unsaturated tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2011-09-20 US disclosed
US-8022102-B2 Unsaturated tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2011-09-20 US disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 US disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 US disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 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 (7 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP CA1 4131/4885CA2 3867/4885EPHX1 3387/4885
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A CA1 4149/4885CA2 3772/4885EPHX1 727/4885
US-20230240297-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CYPROSULFAMIDE AADAC, CYCS, CYP4F12 CA1 1475/4885CA2 221/4885EPHX1 762/4885
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives HTR2C, HTR2A, HTR1A CA1 4013/4885CA2 3474/4885EPHX1 1052/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 CA1 1748/4885CA2 1319/4885EPHX1 463/4885
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A CA1 4149/4885CA2 3772/4885EPHX1 727/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 CA1 4617/4885CA2 4448/4885EPHX1 4056/4885

“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.