SCHEMBL5539403

SCHEMBL5539403

CCOC(=O)c1cnn(-c2ccc(NS(C)(=O)=O)cc2)c1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
TRPC1 P48995 2/20 0.67
TRPC3 Q13507 2/20 0.67
STIM1 Q13586 2/20 0.67
ORAI1 Q96D31 2/20 0.67
STIM2 Q9P246 2/20 0.67
HPGD P15428 9/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 11/20 0.49
KDM4E B2RXH2 8/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL7193923 0.85 MAPT (0.77) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL21419596 0.84 TRPC1 (0.68) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL8345184 0.83 TRPC1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL1194642 0.83 TRPC1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2325526 0.82 MAPT (0.76) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL5533620 0.82 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL19692480 0.82 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL1814204 0.82 ALDH1A1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL12931795 0.81 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2722465 0.81 TRPC1 (0.64) MAPTTRPC1TRPC3STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285554-B2 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. (JP) 2007-10-23 US disclosed
US-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 US disclosed
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. 2006-11-23 US disclosed
US-6958339-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2005-10-25 US disclosed
US-20050234055-A1 Pyrazole derivative ASTELLAS PHARMA INC. 2005-10-20 US disclosed
US-6348480-B1 CALCIUM CHANNEL BLOCKERS AND ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-20010011090-A1 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2001-08-02 US disclosed
EP-1024138-A1 PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 EP 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 (3 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-20050234055-A1 Pyrazole derivative RYR2, RYR1, NR1I3 MAPT 3575/4885TRPC1 77/4885TRPC3 6/4885
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis RYR2, HRH4, RYR1 MAPT 4277/4885TRPC1 105/4885TRPC3 25/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 MAPT 3634/4885TRPC1 43/4885TRPC3 32/4885

“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.