SCHEMBL13640608

SCHEMBL13640608

CC(=O)c1cc(-c2ccc(NC(=O)c3c(C)cccc3F)cc2)c(C)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL2 P60568 13/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TNF P01375 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
GAA P10253 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13321603 0.94 IL2 (0.50) IL2MEN1KMT2ATNFSTIM1
SCHEMBL5029739 0.85 IL2 (0.50) IL2MEN1KMT2ATNFSTIM1
SCHEMBL2892068 0.83 IL2 (0.50) IL2MEN1KMT2ATNFSTIM1
SCHEMBL7930208 0.82 IL2 (0.55) IL2ITGB1ITGA4MEN1KMT2A
SCHEMBL15249599 0.81 IL2 (0.53) IL2MEN1KMT2ATNFSTIM1
SCHEMBL15079075 0.81 IL2 (0.46) IL2MEN1KMT2ATNFSTIM1
SCHEMBL5033848 0.81 IL2 (0.46) IL2MEN1KMT2ATNFSTIM1
SCHEMBL13640610 0.79 IL2 (0.44) IL2ITGB1ITGA4MEN1KMT2A
SCHEMBL13640641 0.79 IL2 (0.44) IL2ITGB1ITGA4MEN1KMT2A
SCHEMBL8232863 0.79 IL2 (0.44) IL2ITGB1ITGA4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 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 (3 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-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885ITGB1 2923/4885ITGA4 2300/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885ITGB1 2923/4885ITGA4 2300/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 IL2 23/4885ITGB1 3262/4885ITGA4 2554/4885

“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.