SCHEMBL16018234

SCHEMBL16018234

Cc1cc2c(cc1-c1cnc(NC(=O)c3sc(-c4ccccc4)nc3C)cn1)OC(F)(F)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.51
▸ ORAI1 Q96D31 3/20 0.51
▸ ORAI2 Q96SN7 1/20 0.51
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ CSNK1E P49674 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41

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
SCHEMBL16018202 0.91 STIM1 (0.61) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL14885675 0.89 MEN1 (0.50) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL16018184 0.86 STIM1 (0.52) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL16017208 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL12155639 0.83 STIM1 (0.60) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL16018228 0.82 STIM1 (0.49) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL16018207 0.82 STIM1 (0.51) STIM1ORAI1ORAI2DGAT1GAA
SCHEMBL12156041 0.80 STIM1 (0.61) STIM1ORAI1ORAI2ALDH1A1NPSR1
SCHEMBL14885645 0.79 STIM1 (0.52) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL1701611 0.78 STIM1 (0.65) STIM1ORAI1ORAI2KMT2AALDH1A1

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.

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