SCHEMBL1463510

SCHEMBL1463510

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCOCC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.36
ATRIP Q8WXE1 1/20 0.36
RORC P51449 1/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CD O00329 1/20 0.33
PLAT P00750 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SCN9A Q15858 7/20 0.32
GRIA2 P42262 1/20 0.32
NR3C2 P08235 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL1464559 0.90 PLAT (0.40) PLATGRIA2
SCHEMBL1460246 0.90 GRIA1 (0.34) ATRATRIPPLATPTGDR2SCN9A
SCHEMBL1462534 0.89 ATR (0.37) ATRATRIPPLATSCN9AGRIA2
SCHEMBL1462834 0.84 TLR9 (0.36) PIK3CDPTGDR2PTGS2HDAC3HDAC4
SCHEMBL1460353 0.84 TGFBR1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27862098 0.83 TLR9 (0.41) PIK3CD
Tert-Butyl Formate SCHEMBL27862135 0.82 PLAT (0.38) PLATSCN9AGRIA2
SCHEMBL27862133 0.81 IDH1 (0.34) PTGDR2SCN9AHDAC3HDAC4HDAC1
SCHEMBL1460273 0.81 HTT (0.43)
SCHEMBL12745974 0.76 ALOX5 (0.40) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
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
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US 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 ATR 1746/4885ATRIP 841/4885RORC 500/4885

“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.