SCHEMBL1939983

SCHEMBL1939983

CC(C)C(=O)OCCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
THRB P10828 1/20 0.46
PLCG1 P19174 1/20 0.46
POLB P06746 10/20 0.45
GRK2 P25098 5/20 0.45
RECQL P46063 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
MEN1 O00255 1/20 0.43
PSMD14 O00487 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 1/20 0.42
DNMT1 P26358 1/20 0.42

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
SCHEMBL13797458 0.86 ALDH1A1 (0.53) KMT2APOLBLMNAMAPK1MEN1
SCHEMBL24333929 0.84 ALDH1A1 (0.49) KMT2APOLBLMNAHSD11B1KDM4E
SCHEMBL16349315 0.84 HSD11B1 (0.47) LMNAHSD11B1L3MBTL1
SCHEMBL27505035 0.81 KMT2A (0.48) KMT2ATHRBPLCG1POLBGRK2
SCHEMBL27706013 0.77 KMT2A (0.44) KMT2ATHRBPLCG1POLBGRK2
SCHEMBL1939147 0.76 PLCG1 (0.55) KMT2APLCG1POLBGRK2RECQL
SCHEMBL28023649 0.76 HSD11B1 (0.55) KMT2APLCG1POLBGRK2RECQL
SCHEMBL4243800 0.76 PLCG1 (0.59) KMT2APLCG1POLBGRK2RECQL
SCHEMBL18760683 0.74 ALDH1A1 (0.50) KMT2ALMNAMEN1ALDH1A1
SCHEMBL1941565 0.73 GAA (0.56) KMT2ATHRBPLCG1POLBGRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP disclosed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US disclosed
EP-2074086-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 WO 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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 KMT2A 190/4885THRB 297/4885PLCG1 2861/4885

“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.