SCHEMBL17697816

SCHEMBL17697816

CN1C(=O)COc2cc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c(C3CC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 13/20 0.47
▸ TNF P01375 1/20 0.44
▸ STIM1 Q13586 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CRACR2A Q9BSW2 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAP3K5 Q99683 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
SCHEMBL16361893 0.96 IL2 (0.47) IL2TNFSTIM1ORAI1NPC1
SCHEMBL17697817 0.89 IL2 (0.46) IL2MAP3K5
SCHEMBL17697815 0.88 CRACR2A (0.47) IL2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL16362061 0.87 IL2 (0.54) IL2TNFSTIM1ORAI1NPC1
SCHEMBL17697814 0.85 IL2 (0.46) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362058 0.85 IL2 (0.46) IL2CRACR2AMAP3K5
SCHEMBL16362444 0.85 IL2 (0.54) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16323437 0.84 IL2 (0.47) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362447 0.84 IL2 (0.46) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362443 0.83 NPC1 (0.51) IL2TNFSTIM1ORAI1NPC1

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-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US claimed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US claimed
EP-3010586-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2016-04-27 — — EP claimed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — 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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E IL2 2831/4885TNF 3546/4885STIM1 303/4885

“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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