SCHEMBL14885667

SCHEMBL14885667

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C(C)C)noc3C)nc1)OC(F)(F)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.48
▸ ORAI1 Q96D31 5/20 0.48
▸ ORAI2 Q96SN7 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ IL2 P60568 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLQ O75417 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAS2R8 Q9NYW2 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL14885661 0.91 STIM1 (0.50) STIM1ORAI1ORAI2POLBTDP1
SCHEMBL14887768 0.89 TP53 (0.40) STIM1ORAI1IL2SCN9ATAS2R8
SCHEMBL16018190 0.87 STIM1 (0.54) STIM1ORAI1ORAI2POLBTDP1
SCHEMBL14885669 0.85 STIM1 (0.50) STIM1ORAI1ORAI2POLBTDP1
SCHEMBL16020577 0.85 STIM1 (0.48) STIM1ORAI1ORAI2POLBTDP1
SCHEMBL14885668 0.83 STIM1 (0.48) STIM1ORAI1ORAI2POLBTDP1
SCHEMBL16018233 0.82 STIM1 (0.48) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16018175 0.81 STIM1 (0.52) STIM1ORAI1ORAI2POLBIL2
SCHEMBL1701956 0.80 STIM1 (0.66) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL12155794 0.80 STIM1 (0.58) STIM1ORAI1ORAI2IL2ALDH1A1

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 4 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
WO-2013059677-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO 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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