SCHEMBL17092824

SCHEMBL17092824

CCc1ccc(C(F)(F)F)c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.52
▸ STIM1 Q13586 3/20 0.47
▸ ORAI1 Q96D31 3/20 0.47
▸ ORAI2 Q96SN7 1/20 0.47
▸ ORAI3 Q9BRQ5 1/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ HCRTR1 O43613 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
SCHEMBL15395924 0.86 STIM1 (0.58) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL15395848 0.85 IL2 (0.54) IL2STIM1ORAI1ORAI2TRPA1
SCHEMBL15395969 0.84 STIM1 (0.58) IL2STIM1ORAI1ORAI2TRPA1
SCHEMBL5550536 0.81 IL2 (0.62) IL2STIM1ORAI1ORAI2ORAI3
SCHEMBL12155960 0.79 IL2 (0.48) IL2STIM1ORAI1ORAI2ORAI3
SCHEMBL15395847 0.79 IL2 (0.59) IL2STIM1ORAI1ORAI2TRPA1
SCHEMBL15395973 0.78 IL2 (0.61) IL2STIM1ORAI1ORAI2
SCHEMBL15395983 0.78 IL2 (0.49) IL2STIM1ORAI1ORAI2
SCHEMBL13321942 0.78 NTRK1 (0.44) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL2305855 0.78 NPC1 (0.43) IL2STIM1ORAI1ORAI2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493427-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2016-11-15 — — US disclosed
US-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2015-09-24 — — 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-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 IL2 21/4885STIM1 2094/4885ORAI1 1129/4885

“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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