SCHEMBL16335318

SCHEMBL16335318

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC1(COC1)CC2=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.54
▸ ORAI1 Q96D31 2/20 0.54
▸ ORAI2 Q96SN7 1/20 0.54
▸ IL2 P60568 17/20 0.54
▸ ACACB O00763 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
SCHEMBL16339913 0.91 STIM1 (0.54) STIM1ORAI1ORAI2IL2ACACB
SCHEMBL16335281 0.89 IL2 (0.46) STIM1ORAI1ORAI2IL2
SCHEMBL16334223 0.89 IL2 (0.53) STIM1ORAI1ORAI2IL2
SCHEMBL16335435 0.89 IL2 (0.61) STIM1ORAI1ORAI2IL2
SCHEMBL16334415 0.86 IL2 (0.56) STIM1ORAI1ORAI2IL2
SCHEMBL16335014 0.86 STIM1 (0.54) STIM1ORAI1ORAI2IL2
SCHEMBL16335085 0.85 IL2 (0.55) STIM1ORAI1ORAI2IL2
SCHEMBL16334408 0.85 IL2 (0.55) STIM1ORAI1ORAI2IL2
SCHEMBL16334497 0.85 IL2 (0.55) STIM1ORAI1ORAI2IL2
SCHEMBL17762909 0.85 IL2 (0.55) STIM1ORAI1ORAI2IL2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US claimed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US claimed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 — — EP claimed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — WO claimed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 — — EP disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — WO disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — 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-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS ORAI1, RYR2, RYR1 STIM1 25/4885ORAI1 1/4885ORAI2 7/4885

“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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