SCHEMBL3556331

SCHEMBL3556331

CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.54
TRPC3 Q13507 3/20 0.49
TP53 P04637 2/20 0.49
TRPC5 Q9UL62 1/20 0.49
THRB P10828 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 3/20 0.47
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL537426 0.88 ALDH1A1 (0.49) TP53ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL2083765 0.86 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2HPGDHTT
SCHEMBL31254695 0.85 ALDH1A1 (0.47) TP53ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL29864375 0.85 TP53 (0.49) TP53ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL13404460 0.84 ALDH1A1 (0.47) TP53THRBALDH1A1TSHRSMN1; SMN2
SCHEMBL7312763 0.82 THRB (0.61) ORAI1TRPC3TP53TRPC5THRB
SCHEMBL3564656 0.82 ALDH1A1 (0.45) TP53THRBALDH1A1TSHRSMN1; SMN2
SCHEMBL17421894 0.80 PTGES (0.62) ALDH1A1TSHRSMN1; SMN2HPGDHTT
SCHEMBL9091142 0.79 PTGS2 (0.69) TSHRALOX5PTGS1HDAC3HDAC4
SCHEMBL7242808 0.79 ORAI1 (0.60) ORAI1TRPC3TP53TRPC5THRB

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 12 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-7705029-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-04-27 US disclosed
EP-1732900-A4 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-12-12 EP disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 US disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 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-7202232-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-04-10 US disclosed
US-7202232-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-04-10 US disclosed
EP-1732900-A2 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
US-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2005-12-08 US disclosed
WO-2005091752-A2 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2005-10-06 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 (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 1960/4885TP53 637/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ORAI1 3017/4885TRPC3 1960/4885TP53 637/4885

“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.