SCHEMBL2096368

SCHEMBL2096368

Fc1cc(S)cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.50
▸ CES2 O00748 3/20 0.41
▸ CES1 P23141 3/20 0.41
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL18377357 0.73 TRPV4 (0.46) TRPV4CA1CA12
SCHEMBL13236550 0.73 TRPV4 (0.46) TRPV4
SCHEMBL23699469 0.72 CES2 (0.43) TRPV4CES2CES1CA1CA2
SCHEMBL17550029 0.71 CES2 (0.41) CES2CES1CA1CA2CA4
SCHEMBL48385 0.71 CA1 (0.38) TRPV4CES2CES1CA1CA2
SCHEMBL1525706 0.69 CES2 (0.45) CES2CES1CA1CA2CA4
SCHEMBL531337 0.69 CES2 (0.52) CES2CES1CA1CA2CA4
SCHEMBL50484 0.69 TRPV4 (0.42) TRPV4
SCHEMBL28208517 0.69 CA1 (0.36) TRPV4CES2CES1CA1CA2
SCHEMBL24925253 0.67 TRPV4 (0.41) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — US disclosed
WO-2021226629-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. (US) 2021-11-11 — — WO disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
US-20210007356-A1 IMIDE DERIVATIVE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-01-14 — — US disclosed
EP-3760627-A1 IMIDE DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-01-06 — — EP disclosed
US-10820591-B2 Substituted sulfonyl amides for controlling animal pests BAYER AKTIENGESELLSCHAFT (DE) 2020-11-03 — — US disclosed
WO-2020211798-A1 INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE, AND PREPARATION METHOD AND USES THEREFOR 上海翰森生物医药科技有限公司 2020-10-22 — — WO disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 — — EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 — — US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 — — US disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 — — US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 — — US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — 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 (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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP TRPV4 4185/4885CES2 4730/4885CES1 1773/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TRPV4 3020/4885CES2 2243/4885CES1 2325/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 TRPV4 1496/4885CES2 2350/4885CES1 1829/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP TRPV4 4185/4885CES2 4730/4885CES1 1773/4885
US-20210007356-A1 IMIDE DERIVATIVE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT CYP51A1, DDT, CYP1A1 TRPV4 1977/4885CES2 897/4885CES1 915/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP TRPV4 4185/4885CES2 4730/4885CES1 1773/4885
US-10820591-B2 Substituted sulfonyl amides for controlling animal pests MLYCD, STOM, DDT TRPV4 4039/4885CES2 680/4885CES1 528/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 TRPV4 786/4885CES2 1927/4885CES1 1352/4885

“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.

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