SCHEMBL2583804

SCHEMBL2583804

CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.37
PTGS1 P23219 3/20 0.37
RXRA P19793 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3690645 0.81 PTGS2 (0.34) PTGS2PTGS1CYP2C9NPC1RAB9A
SCHEMBL2587536 0.78 MEN1 (0.37)
SCHEMBL946905 0.67 KMT2A (0.45) PTGS2PTGS1CYP2C9NPC1RAB9A
SCHEMBL878079 0.67 MAPT (0.37) PTGS2
SCHEMBL877521 0.67 CRBN (0.35) PTGS2PTGS1CYP2C9NPC1RAB9A
SCHEMBL26337591 0.66 PTGS2 (0.40) PTGS2PTGS1CYP2C9
SCHEMBL757069 0.65 RAB9A (0.47) PTGS2PTGS1CYP2C9NPC1RAB9A
SCHEMBL21720871 0.65 PTGS2 (0.37) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL21768447 0.65 PTGS2 (0.39) PTGS2PTGS1CYP2C9NPC1RAB9A
SCHEMBL30295506 0.65 MEN1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
WO-2014152738-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 WO disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 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 (6 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 PTGS2 1611/4885PTGS1 1152/4885RXRA 2245/4885
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 PTGS2 919/4885PTGS1 1329/4885RXRA 1562/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 PTGS2 2833/4885PTGS1 2251/4885RXRA 817/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 PTGS2 3083/4885PTGS1 1901/4885RXRA 1783/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 PTGS2 919/4885PTGS1 1329/4885RXRA 1562/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 PTGS2 2833/4885PTGS1 2251/4885RXRA 817/4885

“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.