SCHEMBL18448495

SCHEMBL18448495

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 1.00
PTGS2 P35354 18/20 0.76
CYP2C9 P11712 3/20 0.56
PTGES O14684 1/20 0.55
HDAC3 O15379 1/20 0.55
PDPK1 O15530 1/20 0.55
CA12 O43570 1/20 0.55
PDE5A O76074 1/20 0.55
ABCB11 O95342 1/20 0.55
MT-CO2 P00403 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
CA3 P07451 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX5 P09917 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
ADRB3 P13945 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL5698545 0.89 PTGS1 (0.80) PTGS1PTGS2CYP2C9PDPK1CYP3A4
SCHEMBL31543731 0.89 PTGS1 (0.80) PTGS1PTGS2CYP2C9PDPK1CYP3A4
SCHEMBL5430134 0.89 PTGS1 (0.80) PTGS1PTGS2CYP2C9PTGESHDAC3
SCHEMBL17077240 0.89 PTGS1 (0.80) PTGS1PTGS2CYP2C9PDPK1
SCHEMBL2695601 0.89 PTGS1 (0.80) PTGS1PTGS2CYP2C9PDPK1
SCHEMBL29503530 0.88 PTGS1 (0.79) PTGS1PTGS2CYP2C9PDPK1
SCHEMBL3276806 0.88 PTGS1 (0.79) PTGS1PTGS2CYP2C9PDPK1
SCHEMBL2697786 0.88 PTGS1 (0.78) PTGS1PTGS2CYP2C9PDPK1
SCHEMBL6013922 0.86 PTGS2 (1.00) PTGS1PTGS2CYP2C9PTGESHDAC3
SCHEMBL7797949 0.86 PTGS2 (0.79) PTGS1PTGS2CYP2C9PTGESHDAC3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 US disclosed
EP-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 EP disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 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 (5 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC PTGS1 617/4885PTGS2 1105/4885CYP2C9 1279/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC PTGS1 617/4885PTGS2 1105/4885CYP2C9 1279/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC PTGS1 747/4885PTGS2 1340/4885CYP2C9 1463/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC PTGS1 739/4885PTGS2 1296/4885CYP2C9 1501/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC PTGS1 747/4885PTGS2 1340/4885CYP2C9 1463/4885

“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.