SCHEMBL16017334

SCHEMBL16017334

Cc1cccc(F)c1C(=O)Nc1ccc(Cc2ccc(F)cc2C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
TRPA1 O75762 4/20 0.43
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
P2RX7 Q99572 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
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
SCHEMBL16017298 0.94 TRPA1 (0.43) ITGB1ITGA4TRPA1RAB9ACYP1A2
SCHEMBL16017302 0.92 RAB9A (0.47) ITGB1ITGA4TRPA1RAB9ACYP1A2
SCHEMBL14887744 0.91 ITGB1 (0.52) ITGB1ITGA4TRPA1RAB9ACYP1A2
SCHEMBL16017271 0.91 TRPA1 (0.43) ITGB1ITGA4TRPA1RAB9ACYP1A2
SCHEMBL14887358 0.88 P2RX7 (0.37) ITGB1ITGA4TRPA1RAB9ALMNA
SCHEMBL14887590 0.86 LMNA (0.43) ITGB1ITGA4TRPA1CYP1A2SMN1; SMN2
SCHEMBL16017293 0.86 HTT (0.46) TRPA1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14887752 0.86 RAB9A (0.47) ITGB1ITGA4TRPA1RAB9ACYP1A2
SCHEMBL16019800 0.85 HDAC3 (0.41) TRPA1RAB9ACYP1A2SMN1; SMN2LMNA
SCHEMBL16017268 0.84 ITGB1 (0.50) ITGB1ITGA4TRPA1RAB9ACYP1A2

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 4654/4885TRPA1 75/4885

“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.