SCHEMBL16335057

SCHEMBL16335057

CCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cn1)OC(C)(C)CC2=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.59
▸ MAOB P27338 3/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CRACR2A Q9BSW2 1/20 0.40
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ ORAI2 Q96SN7 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16335208 0.90 IL2 (0.49) IL2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16335391 0.89 IL2 (0.58) IL2MAOBNPC1RAB9ASTIM1
SCHEMBL16335240 0.86 IL2 (0.49) IL2MAOBNPC1RAB9ATP53
SCHEMBL16335114 0.84 IL2 (0.50) IL2MAOBNPC1RAB9ASTIM1
SCHEMBL16335249 0.82 IL2 (0.49) IL2NPC1RAB9ACRACR2ASTIM1
SCHEMBL16334700 0.81 IL2 (0.49) IL2NPC1RAB9ACRACR2ASTIM1
SCHEMBL16335286 0.81 IL2 (0.47) IL2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16335281 0.79 IL2 (0.46) IL2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16340343 0.79 IL2 (0.46) IL2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16339611 0.79 IL2 (0.55) IL2STIM1ORAI1ORAI2KDM4E

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 IL2 3382/4885MAOB 1891/4885NPC1 921/4885

“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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