SCHEMBL16017304

SCHEMBL16017304

Cc1cccc(F)c1C(=O)Nc1ccc(Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.53
ITGA4 P13612 8/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPA1 O75762 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.42
ITGA2 P17301 1/20 0.42
ITGB7 P26010 1/20 0.42
TYK2 P29597 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
IL2 P60568 1/20 0.41
CNR1 P21554 1/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL16017266 0.93 ITGB1 (0.53) ITGB1ITGA4MEN1KMT2ATRPA1
SCHEMBL14887760 0.89 ITGB1 (0.51) ITGB1ITGA4MEN1KMT2ATRPA1
SCHEMBL16017271 0.88 TRPA1 (0.43) ITGB1ITGA4TRPA1MAPTRAB9A
SCHEMBL14887744 0.88 ITGB1 (0.52) ITGB1ITGA4MEN1KMT2ATRPA1
SCHEMBL16017332 0.86 LMNA (0.45) ITGB1ITGA4MEN1KMT2ATRPA1
SCHEMBL14887597 0.86 ITGB1 (0.48) ITGB1ITGA4MEN1KMT2ATRPA1
SCHEMBL16019819 0.84 ITGB1 (0.44) ITGB1ITGA4TRPA1MAPTGAA
SCHEMBL16019869 0.84 ITGB1 (0.47) ITGB1ITGA4MEN1KMT2ATRPA1
SCHEMBL16017327 0.83 KMT2A (0.60) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL14887757 0.83 TYK2 (0.44) ITGB1ITGA4KMT2AGAATYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ITGB1 4438/4885ITGA4 4654/4885MEN1 2958/4885

“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.