SCHEMBL16572608

SCHEMBL16572608

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cncc3F)nc1)OC(F)(F)CO2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.46
▸ ORAI1 Q96D31 3/20 0.46
▸ IL2 P60568 6/20 0.45
▸ ORAI2 Q96SN7 1/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABL1 P00519 6/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL16572602 1.00 STIM1 (0.46) STIM1ORAI1IL2ORAI2NPC1
SCHEMBL12241621 0.93 IL2 (0.54) STIM1ORAI1IL2ORAI2NPC1
SCHEMBL12241618 0.93 IL2 (0.54) STIM1ORAI1IL2ORAI2NPC1
SCHEMBL17805360 0.89 STIM1 (0.46) STIM1ORAI1IL2ORAI2ABL1
SCHEMBL12155794 0.88 STIM1 (0.58) STIM1ORAI1IL2ORAI2NPC1
SCHEMBL12155559 0.88 STIM1 (0.58) STIM1ORAI1IL2ORAI2NPC1
SCHEMBL16572601 0.87 IL2 (0.51) STIM1ORAI1IL2ORAI2ABL1
SCHEMBL16572607 0.87 IL2 (0.51) STIM1ORAI1IL2ORAI2ABL1
SCHEMBL16572573 0.86 IL2 (0.46) STIM1ORAI1IL2ORAI2ALDH1A1
SCHEMBL12241637 0.82 ABL1 (0.47) STIM1ORAI1NPC1RAB9AALDH1A1

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-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — 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 (2 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885IL2 3716/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885IL2 3716/4885

“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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