SCHEMBL1369921

SCHEMBL1369921

O=S(=O)(CCO)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.42
EGFR P00533 2/20 0.41
HSD11B1 P28845 1/20 0.41
ERBB2 P04626 1/20 0.41
KAT6A Q92794 2/20 0.40
BRD4 O60885 1/20 0.40
WDR5 P61964 1/20 0.40
HSD17B2 P37059 1/20 0.40
MMP2 P08253 2/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1369364 0.89 CA2 (0.50) CA2ATMEGFRHSD11B1ERBB2
SCHEMBL2443608 0.88 CA2 (0.51) CA2ATMEGFRHSD11B1ERBB2
SCHEMBL17364184 0.85 ATM (0.45) CA2ATMEGFRHSD11B1ERBB2
SCHEMBL28605173 0.81 ATM (0.43) ATMEGFRHSD11B1ERBB2KAT6A
SCHEMBL263686 0.81 ATM (0.46) ATMKAT6AHSD17B2MMP2
SCHEMBL17699828 0.81 ATM (0.43) ATMEGFRHSD11B1ERBB2KAT6A
SCHEMBL29782813 0.81 ATM (0.43) ATMEGFRHSD11B1ERBB2KAT6A
SCHEMBL21872042 0.81 ATM (0.61) ATMEGFRHSD11B1ERBB2BRD4
SCHEMBL4251866 0.80 PLCG1 (0.56) ATMEGFRERBB2KAT6ABRD4
SCHEMBL2555899 0.80 ATM (0.42) ATMEGFRHSD11B1ERBB2KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO 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 (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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 CA2 804/4885ATM 3952/4885POLB 3046/4885
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 CA2 2621/4885ATM 3595/4885POLB 4154/4885

“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.