SCHEMBL2237740

SCHEMBL2237740

Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)NCCCO)c3)cc3c(Br)ccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
THRB P10828 1/20 0.37
BRAF P15056 4/20 0.37
MAPK8 P45983 1/20 0.37
ALDH1A1 P00352 3/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
SYK P43405 3/20 0.36
PKM P14618 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
GAA P10253 1/20 0.35
RAF1 P04049 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2240207 0.84 NEK1 (0.41) BRD4THRBBRAFMAPK8IKBKB
SCHEMBL2240276 0.83 MAOA (0.43) BRD4PTGDR2IKBKBCHUKCA12
SCHEMBL3603085 0.79 PTGDR2 (0.46) PTGDR2ALDH1A1GAACA12CA2
SCHEMBL2321083 0.78 BRD4 (0.42) BRD4PTGDR2IKBKBCHUKSYK
SCHEMBL4311411 0.76 PTGDR2 (0.38) PTGDR2CA12CA2CA9
SCHEMBL4312161 0.75 PTGDR2 (0.39) PTGDR2CA2CA9
SCHEMBL29941106 0.74 CA12 (0.42) PTGDR2ALDH1A1PIK3C3CA12CA2
SCHEMBL17289842 0.74 CA12 (0.42) PTGDR2ALDH1A1PIK3C3CA12CA2
SCHEMBL17289997 0.72 PTGDR2 (0.39) PTGDR2ALDH1A1KMT2ACA12CA2
SCHEMBL3412397 0.72 PTGDR2 (0.47) PTGDR2PKM

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 BRD4 123/4885PTGDR2 1602/4885THRB 1969/4885

“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.