SCHEMBL15420161

SCHEMBL15420161

COc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.69
PTGS1 P23219 5/20 0.69
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
THRB P10828 1/20 0.56
MAPT P10636 2/20 0.52
TRPC3 Q13507 2/20 0.51
TP53 P04637 1/20 0.51
ORAI1 Q96D31 2/20 0.48
TRPC5 Q9UL62 1/20 0.48

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
SCHEMBL6172133 0.84 PTGS2 (0.69) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL597455 0.84 LMNA (0.60) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7318760 0.83 ORAI1 (0.74) PTGS2PTGS1THRBMAPTTRPC3
SCHEMBL19692290 0.83 PTGS2 (0.57) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL19706476 0.83 PTGS2 (0.57) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL2461984 0.83 PTGS2 (0.68) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7397066 0.83 PTGS2 (0.68) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14198876 0.82 TRPC3 (0.69) PTGS2PTGS1CYP3A4CYP2C9TSHR
SCHEMBL7112386 0.82 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL22842819 0.80 PTGS2 (0.47) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388408-A Synthesis method of 3, 5-bis (fluoroalkyl) pyrazole compound 西北师范大学 2024-07-26 CN disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (1 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 PTGS2 3017/4885PTGS1 3041/4885CYP1A2 1155/4885

“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.