SCHEMBL3560874

SCHEMBL3560874

N#C/C(=C/c1ccc(-n2nc(C(F)(F)F)cc2OC(F)F)cc1)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PPARD Q03181 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
PDPK1 O15530 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 4/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
KIF20A O95235 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL3560876 1.00 ALDH1A1 (0.42) ALDH1A1PPARDPTGS1PTGS2PDPK1
SCHEMBL3563072 0.93 ALDH1A1 (0.35) ALDH1A1PPARDPTGS1PTGS2PDPK1
SCHEMBL3563070 0.93 ALDH1A1 (0.35) ALDH1A1PPARDPTGS1PTGS2PDPK1
SCHEMBL13404459 0.93 ALDH1A1 (0.35) ALDH1A1PPARDPTGS1PTGS2PDPK1
SCHEMBL3562524 0.90 NPC1 (0.34) ALDH1A1PTGS1PTGS2PDPK1MAPT
SCHEMBL3562523 0.90 NPC1 (0.34) ALDH1A1PTGS1PTGS2PDPK1MAPT
SCHEMBL3559491 0.84 ALDH1A1 (0.46) ALDH1A1PPARDPTGS1PTGS2KDM4E
SCHEMBL3558921 0.78 CRACR2A (0.33) ALDH1A1PTGS1PTGS2KDM4ETP53
SCHEMBL3558924 0.78 CRACR2A (0.33) ALDH1A1PTGS1PTGS2KDM4ETP53
SCHEMBL13438433 0.77 ORAI1 (0.41) ALDH1A1PPARDPTGS1PTGS2KDM4E

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 7 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
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-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 ALDH1A1 472/4885PPARD 546/4885PTGS1 207/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ALDH1A1 472/4885PPARD 546/4885PTGS1 207/4885

“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.