SCHEMBL17766396

SCHEMBL17766396

CCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)oc(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 16/20 0.51
▸ GPR55 Q9Y2T6 2/20 0.44
▸ TNF P01375 1/20 0.42
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ RORC P51449 1/20 0.40
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL16361890 0.97 IL2 (0.51) IL2GPR55TNFSTIM1ORAI1
SCHEMBL17766403 0.89 IL2 (0.58) IL2GPR55TNFSTIM1ORAI1
SCHEMBL16362094 0.88 IL2 (0.60) IL2TNFSTIM1ORAI1RORC
SCHEMBL16320775 0.88 IL2 (0.57) IL2GPR55TNFSTIM1ORAI1
SCHEMBL17766351 0.86 IL2 (0.54) IL2TNFSTIM1ORAI1
SCHEMBL17766343 0.85 IL2 (0.59) IL2TNFSTIM1ORAI1RORC
SCHEMBL17766389 0.85 IL2 (0.49) IL2GPR55TNFSTIM1ORAI1
SCHEMBL17766405 0.84 IL2 (0.49) IL2GPR55TNFSTIM1ORAI1
SCHEMBL17766398 0.83 IL2 (0.53) IL2TNFSTIM1ORAI1
SCHEMBL16362418 0.83 IL2 (0.46) IL2GPR55TNFSTIM1ORAI1

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-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
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 2831/4885GPR55 385/4885TNF 3546/4885

“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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