SCHEMBL16334785

SCHEMBL16334785

Cc1cc2c(cc1-c1ccc(C(=O)Nc3c(F)cncc3F)cc1)OC(C)(C)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ RAF1 P04049 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GAA P10253 5/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ GLA P06280 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ IL2 P60568 3/20 0.35
▸ MAOB P27338 2/20 0.35

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
SCHEMBL16335234 0.90 ALDH1A1 (0.42) KDM4EALDH1A1MAPTMAPK1NPC1
SCHEMBL16335364 0.90 KDM4E (0.40) KDM4EALDH1A1MAPTMAPK1NPC1
SCHEMBL16381723 0.88 RAF1 (0.42) KDM4EALDH1A1RAF1KCNH2HPGD
SCHEMBL17762982 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMAPK1NPC1
SCHEMBL16334460 0.83 TDP1 (0.42) ABL1RXFP1RAF1IL2
SCHEMBL17746854 0.79 RAF1 (0.42) KDM4EALDH1A1RAF1KCNH2HPGD
SCHEMBL17746890 0.77 RAF1 (0.41) KDM4ERAF1KCNH2
SCHEMBL16335445 0.77 IL2 (0.57) MAPTNPC1RAB9ATP53IL2
SCHEMBL16381685 0.77 IL2 (0.57) KDM4EALDH1A1MAPK1NPC1RAB9A
SCHEMBL17746851 0.77 RAF1 (0.41) ABL1RXFP1RAF1IL2

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 8 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

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 KDM4E 3112/4885ALDH1A1 2782/4885MAPT 2512/4885

“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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