SCHEMBL3566754

SCHEMBL3566754

N#CC(=Cc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)C(=O)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.43
TRPC3 Q13507 3/20 0.43
TRPC1 P48995 1/20 0.43
STIM1 Q13586 1/20 0.43
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
TRPC5 Q9UL62 1/20 0.37
THRB P10828 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 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
SCHEMBL3558311 0.90 ALDH1A1 (0.41) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL3558315 0.90 ALDH1A1 (0.41) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL13404469 0.86 ORAI1 (0.43) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL3560798 0.86 ORAI1 (0.43) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL3561805 0.83 ORAI1 (0.47) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL3557244 0.83 NPC1 (0.43) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL3557246 0.83 NPC1 (0.43) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL3558103 0.82 ALDH1A1 (0.41) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL3558108 0.82 ALDH1A1 (0.41) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL3559709 0.80 ORAI1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705029-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-04-27 US disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 US disclosed
US-7202232-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-04-10 US disclosed
US-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2005-12-08 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 (2 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-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses IL1B, IL6, TLR4 ORAI1 3017/4885TRPC3 1960/4885TRPC1 3621/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ORAI1 3017/4885TRPC3 1960/4885TRPC1 3621/4885

“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.