SCHEMBL1459178

SCHEMBL1459178

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3=CC(C(C)(C)C)N(C(=O)O)CC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.36
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
STIM1 Q13586 1/20 0.30
ORAI1 Q96D31 1/20 0.30

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
SCHEMBL1460224 0.78 CDK9 (0.42)
SCHEMBL1460048 0.75 ULK1 (0.37) PTGDR2ATRATRIP
SCHEMBL1459990 0.75 PTGS2 (0.39) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1462834 0.74 TLR9 (0.36) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1463322 0.74 ATR (0.33) PTGDR2HDAC3HDAC4HDAC1HDAC7
Tert-Butyl Formate SCHEMBL27862147 0.71 SCN9A (0.32) PTGDR2
SCHEMBL1460149 0.71 TRPA1 (0.37) PTGDR2STIM1ORAI1
SCHEMBL1460353 0.71 TGFBR1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27862098 0.70 TLR9 (0.41)
SCHEMBL27862133 0.70 IDH1 (0.34) PTGDR2HDAC3HDAC4HDAC1HDAC7

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-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E PTGDR2 397/4885HDAC3 1265/4885HDAC4 1811/4885

“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.