SCHEMBL12093752

SCHEMBL12093752

Cc1ccccc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TNF P01375 1/20 0.56
STIM1 Q13586 1/20 0.56
ORAI1 Q96D31 1/20 0.56
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
HTT P42858 1/20 0.54
NOD2 Q9HC29 1/20 0.54
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
FFAR1 O14842 1/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8296797 0.85 MEN1 (0.55) MEN1KMT2AHTTRAB9AGAA
SCHEMBL1828207 0.85 IL2 (0.63) IL2MEN1KMT2ATNFSTIM1
SCHEMBL4770059 0.84 IL2 (0.62) IL2MEN1KMT2ATNFSTIM1
SCHEMBL15456644 0.83 IL2 (0.67) IL2MEN1KMT2ATNFSTIM1
SCHEMBL8193723 0.83 TYK2 (0.62) IL2MEN1KMT2ATNFSTIM1
SCHEMBL4762822 0.82 IL2 (0.60) IL2MEN1KMT2ATNFSTIM1
SCHEMBL8234315 0.82 MEN1 (0.52) IL2MEN1KMT2ATNFSTIM1
Iodide SCHEMBL987563 0.81 MEN1 (0.51) IL2MEN1KMT2ATNFSTIM1
SCHEMBL2727569 0.81 IL2 (0.59) IL2MEN1KMT2ATNFSTIM1
SCHEMBL16583943 0.80 GAA (0.59) MEN1KMT2AJAK2JAK1TYK2

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-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 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 (2 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 IL2 72/4885MEN1 3772/4885KMT2A 4090/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 IL2 72/4885MEN1 3772/4885KMT2A 4090/4885

“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.