SCHEMBL17766374

SCHEMBL17766374

Cc1cc2oc(=O)n(C)c2cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 8/20 0.50
▸ ORAI1 Q96D31 8/20 0.50
▸ IL2 P60568 4/20 0.45
▸ S1PR2 O95136 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ ESRRG P62508 1/20 0.36
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16362066 0.91 STIM1 (0.58) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766353 0.89 STIM1 (0.43) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766401 0.88 STIM1 (0.59) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766384 0.83 IL2 (0.57) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766344 0.80 STIM1 (0.48) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL16362414 0.79 STIM1 (0.43) STIM1ORAI1IL2MAPK11MAPK14
SCHEMBL17766387 0.79 STIM1 (0.49) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766376 0.78 STIM1 (0.46) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766380 0.76 STIM1 (0.47) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL8262609 0.73 IL2 (0.61) STIM1ORAI1IL2S1PR2S1PR4

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 6 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-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 STIM1 303/4885ORAI1 6/4885IL2 2831/4885

“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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