SCHEMBL3514586

SCHEMBL3514586

O=S(=O)(CCCl)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.61
KMT2A Q03164 5/20 0.47
CA2 P00918 3/20 0.46
POLB P06746 7/20 0.46
HSD11B1 P28845 1/20 0.46
CTDSP1 Q9GZU7 5/20 0.44
GRK2 P25098 3/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
RECQL P46063 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA1 P00915 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 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
SCHEMBL5446197 0.88 PLCG1 (0.57) PLCG1KMT2ACA2POLBHSD11B1
SCHEMBL165340 0.82 PLCG1 (0.67) PLCG1KMT2ACA2POLBHSD11B1
SCHEMBL19127744 0.80 PLCG1 (0.64) PLCG1KMT2ACA2POLBHSD11B1
SCHEMBL426162 0.80 ALDH1A1 (0.52) KMT2ACA2POLBHSD11B1LMNA
SCHEMBL13586189 0.78 PLCG1 (0.61) PLCG1KMT2ACA2POLBHSD11B1
SCHEMBL8775111 0.78 ALDH1A1 (0.42) PLCG1KMT2ACA2POLBLMNA
SCHEMBL6353755 0.78 GAA (0.57) KMT2ACA2LMNATDP1ALDH1A1
SCHEMBL1149166 0.78 ALDH1A1 (0.69) KMT2ACA2LMNAALDH1A1CYP3A4
SCHEMBL5974400 0.78 CA2 (0.53) KMT2ACA2LMNAALDH1A1CYP3A4
SCHEMBL1938871 0.78 CA2 (0.64) PLCG1KMT2ACA2POLBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
EP-0841323-B1 Method for producing arylvinylsulfone SUMITOMO CHEMICAL CO (JP) 2003-03-05 EP disclosed
US-5902905-A Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-05-11 US disclosed
EP-0841323-A2 Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-13 EP disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed
EP-0066415-B1 N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-02 EP disclosed
EP-0066415-A2 N-(arylthioalkyl)-N'-(aminoalkyl)ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-08 EP 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A PLCG1 144/4885KMT2A 3440/4885CA2 3368/4885

“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.