SCHEMBL16334639

SCHEMBL16334639

Cc1cc2c(cc1-c1cnc(NCc3c(F)cccc3F)cn1)OC(C)(C)CC2=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.55
▸ ORAI1 Q96D31 6/20 0.55
▸ MAOB P27338 8/20 0.42
▸ IL2 P60568 2/20 0.41
▸ ORAI2 Q96SN7 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 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
SCHEMBL16381661 0.88 STIM1 (0.52) STIM1ORAI1IL2ORAI2KDM4E
SCHEMBL16335301 0.87 STIM1 (0.67) STIM1ORAI1MAOBIL2KDM4E
SCHEMBL16335435 0.83 IL2 (0.61) STIM1ORAI1MAOBIL2ORAI2
SCHEMBL16335122 0.81 STIM1 (0.48) STIM1ORAI1MAOBIL2KDM4E
SCHEMBL14225923 0.80 STIM1 (0.74) STIM1ORAI1IL2ORAI2
SCHEMBL17746839 0.77 STIM1 (0.42) STIM1ORAI1KDM4EALDH1A1HSD17B10
SCHEMBL16340169 0.76 STIM1 (0.55) STIM1ORAI1IL2ORAI2
SCHEMBL17746853 0.76 STIM1 (0.64) STIM1ORAI1IL2KDM4EALDH1A1
SCHEMBL16335208 0.75 IL2 (0.49) STIM1ORAI1IL2ORAI2KDM4E
SCHEMBL16335391 0.75 IL2 (0.58) STIM1ORAI1MAOBIL2ORAI2

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 9 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

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 1/4885MAOB 1891/4885

“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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