SCHEMBL16018207

SCHEMBL16018207

Cc1cc2c(cc1-c1cnc(NC(=O)c3oc(-c4ccccc4)nc3C)cn1)OC(F)(F)O2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.51
▸ ORAI1 Q96D31 3/20 0.51
▸ ORAI2 Q96SN7 1/20 0.51
▸ GAA P10253 1/20 0.47
▸ DGAT1 O75907 1/20 0.45
▸ IL2 P60568 9/20 0.41
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LDHA P00338 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL16018247 0.91 STIM1 (0.61) STIM1ORAI1ORAI2GAADGAT1
SCHEMBL14885684 0.89 STIM1 (0.49) STIM1ORAI1ORAI2GAADGAT1
SCHEMBL16018169 0.87 STIM1 (0.53) STIM1ORAI1ORAI2GAAIL2
SCHEMBL16017215 0.83 GAA (0.50) STIM1ORAI1GAADGAT1USP2
SCHEMBL12155639 0.83 STIM1 (0.60) STIM1ORAI1ORAI2GAAIL2
SCHEMBL16018220 0.82 STIM1 (0.49) STIM1ORAI1ORAI2GAADGAT1
SCHEMBL16018234 0.82 STIM1 (0.51) STIM1ORAI1ORAI2GAADGAT1
SCHEMBL14885645 0.81 STIM1 (0.52) STIM1ORAI1ORAI2DGAT1IL2
SCHEMBL16020560 0.81 STIM1 (0.53) STIM1ORAI1ORAI2IL2POLB
SCHEMBL12156041 0.80 STIM1 (0.61) STIM1ORAI1ORAI2GAAIL2

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
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.

Send feedback