SCHEMBL5030846

SCHEMBL5030846

CCCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
TRPA1 O75762 3/20 0.44
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
IL2 P60568 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
DGAT1 O75907 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 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
SCHEMBL5032061 0.92 ABL1 (0.48) ABL1TRPA1RAB9AMEN1KMT2A
SCHEMBL5033885 0.87 ABL1 (0.58) ABL1RAB9AMEN1KMT2AJAK2
SCHEMBL5033848 0.74 IL2 (0.46) TRPA1RAB9AMEN1KMT2AIL2
SCHEMBL5027355 0.69 DYRK1A (0.45) ABL1RAB9AMEN1KMT2AJAK2
SCHEMBL5029429 0.68 IL2 (0.61) RAB9AMEN1KMT2AJAK2JAK1
SCHEMBL2892068 0.68 IL2 (0.50) RAB9AMEN1KMT2AJAK2JAK1
SCHEMBL5027397 0.67 IL2 (0.51) TRPA1RAB9AMEN1KMT2AHTT
SCHEMBL4762631 0.67 IL2 (0.61) ABL1RAB9AIL2ALDH1A1SMN1; SMN2
SCHEMBL6875236 0.67 SMN1; SMN2 (0.56) ABL1MEN1KMT2AHTTALDH1A1
SCHEMBL5033817 0.67 RAB9A (0.50) RAB9AMEN1KMT2AJAK2JAK1

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
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 ABL1 3411/4885TRPA1 218/4885RAB9A 2515/4885

“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.