SCHEMBL16017246

SCHEMBL16017246

Cc1coc(C(F)F)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.42
ORAI1 Q96D31 2/20 0.42
RAF1 P04049 2/20 0.41
BRAF P15056 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRACR2A Q9BSW2 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL16017186 0.93 STIM1 (0.42) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL16017209 0.89 RAB9A (0.47) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL16019796 0.86 CRACR2A (0.43) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL16017189 0.82 STIM1 (0.51) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL25976783 0.81 STIM1 (0.46) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL14887488 0.81 CRACR2A (0.49) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL16017180 0.81 STIM1 (0.43) STIM1ORAI1RAF1BRAFPOLB
SCHEMBL16008936 0.81 STIM1 (0.52) STIM1ORAI1POLBALDH1A1CYP3A4
SCHEMBL16017183 0.81 CRACR2A (0.55) STIM1ORAI1ALDH1A1CYP3A4CYP1A2
SCHEMBL16017205 0.81 GRM1 (0.52) CYP1A2RAB9A

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 1 patent. 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

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 STIM1 17/4885ORAI1 1/4885RAF1 2816/4885

“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.