SCHEMBL16018236

SCHEMBL16018236

Cc1cc2c(cc1-c1ccc(NC(=O)c3cc(-c4ccccc4)oc3C)nc1)OC(F)(F)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.50
▸ ORAI1 Q96D31 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ ORAI2 Q96SN7 1/20 0.41
▸ POLQ O75417 1/20 0.40
▸ ABL1 P00519 2/20 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
SCHEMBL16018203 0.91 STIM1 (0.48) STIM1ORAI1ALDH1A1MEN1KMT2A
SCHEMBL14885645 0.89 STIM1 (0.52) STIM1ORAI1ALDH1A1MEN1KMT2A
SCHEMBL14887338 0.87 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL12155518 0.85 STIM1 (0.56) STIM1ORAI1ALDH1A1LMNAORAI2
SCHEMBL12155538 0.84 STIM1 (0.57) STIM1ORAI1ALDH1A1MEN1KMT2A
SCHEMBL1701825 0.83 STIM1 (0.62) STIM1ORAI1ALDH1A1KMT2ATDP1
SCHEMBL1702582 0.82 STIM1 (0.53) STIM1ORAI1ALDH1A1MEN1KMT2A
SCHEMBL14885646 0.82 STIM1 (0.62) STIM1ORAI1ALDH1A1MEN1KMT2A
SCHEMBL14885684 0.80 STIM1 (0.49) STIM1ORAI1ALDH1A1MAPTCYP2C9
SCHEMBL16018172 0.80 STIM1 (0.53) STIM1ORAI1ALDH1A1ORAI2POLQ

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 1/4885ALDH1A1 4409/4885

“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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