SCHEMBL16020573

SCHEMBL16020573

Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.50
▸ ORAI1 Q96D31 4/20 0.50
▸ ORAI2 Q96SN7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ IL2 P60568 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ TAS2R8 Q9NYW2 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
SCHEMBL16020576 0.93 STIM1 (0.50) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14885668 0.91 STIM1 (0.48) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16020152 0.89 STIM1 (0.43) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14881347 0.89 STIM1 (0.53) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16020568 0.87 STIM1 (0.64) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16018183 0.85 STIM1 (0.52) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14885665 0.85 STIM1 (0.50) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14885661 0.84 STIM1 (0.50) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16020577 0.83 STIM1 (0.48) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL12156210 0.82 STIM1 (0.68) STIM1ORAI1ORAI2TDP1ALDH1A1

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-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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