SCHEMBL10042199

SCHEMBL10042199

Cc1ccc(Br)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
TGM2 P21980 12/20 0.53
F13A1 P00488 9/20 0.53
TGM1 P22735 6/20 0.53
GPR119 Q8TDV5 2/20 0.50
TGM3 Q08188 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10042200 0.88 TDP1 (0.65) EPHX2TGM2F13A1TGM1TGM3
SCHEMBL309691 0.85 EPHX2 (0.55) EPHX2TGM2F13A1TGM1GPR119
SCHEMBL10042196 0.82 USP2 (0.50) EPHX2GPR119TDP1GAAKMT2A
SCHEMBL2376710 0.82 ABL1 (0.59) TGM2F13A1TGM1KMT2AMEN1
SCHEMBL2512179 0.81 TGM2 (0.55) EPHX2TGM2F13A1TGM1GPR119
SCHEMBL18410584 0.81 TGM2 (0.65) TGM2F13A1TGM1GAAKMT2A
SCHEMBL2226727 0.81 TGM2 (0.64) EPHX2TGM2F13A1TGM1TGM3
SCHEMBL31165481 0.79 TGM2 (0.56) TGM2F13A1TGM1GPR119KMT2A
SCHEMBL2378926 0.79 TGM2 (0.56) TGM2F13A1TGM1GPR119KMT2A
SCHEMBL14490221 0.78 ABL1 (0.55) TGM2F13A1TGM1KMT2AMEN1

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
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 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 (3 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885TGM2 2597/4885F13A1 4570/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885TGM2 2597/4885F13A1 4570/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885TGM2 2441/4885F13A1 4492/4885

“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.