SCHEMBL15420349

SCHEMBL15420349

Oc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.53
TRPC3 Q13507 3/20 0.51
TRPC1 P48995 1/20 0.49
STIM1 Q13586 1/20 0.49
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
TP53 P04637 2/20 0.48
TRPC5 Q9UL62 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 3/20 0.46
PTGS2 P35354 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7326875 0.83 ORAI1 (0.81) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL14198876 0.83 TRPC3 (0.69) ORAI1TRPC3TP53TRPC5MAPT
SCHEMBL3277337 0.83 PTGS2 (0.55) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL19692382 0.83 PTGS2 (0.53) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7570850 0.82 PTGS1 (0.65) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL3558495 0.82 PTGS2 (0.56) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL5212522 0.82 ORAI1 (0.60) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL31566340 0.81 STIM1 (0.46) ORAI1TRPC3STIM1KDM4EMAPT
SCHEMBL597566 0.81 ALDH1A1 (0.45) ORAI1TRPC3ESR1ESR2TP53
SCHEMBL7242808 0.80 ORAI1 (0.60) ORAI1TRPC3TRPC1STIM1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ORAI1 2127/4885TRPC3 2938/4885TRPC1 1868/4885

“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.