SCHEMBL2832689

SCHEMBL2832689

Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C(=O)O)C[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47
HSD11B1 P28845 2/20 0.42
CNR1 P21554 1/20 0.41
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12965960 0.85 MMP1 (0.46) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL2831523 0.83 HSD11B1 (0.45) HCRTR1HCRTR2MMP2HSD11B1CNR1
SCHEMBL5750486 0.80 L3MBTL1 (0.47) HCRTR1HCRTR2HSD11B1CNR1
SCHEMBL15916184 0.79 CNR1 (0.51) CNR1EPHX2KDM4EALDH1A1
SCHEMBL15917207 0.79 CNR1 (0.51) CNR1EPHX2KDM4EALDH1A1
SCHEMBL2834513 0.79 EPHX2 (0.45) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL2840532 0.79 EPHX2 (0.45) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL5436955 0.76 SMN1; SMN2 (0.52) HCRTR1HCRTR2EPHX2NPC1RAB9A
SCHEMBL6500614 0.75 CNR1 (0.52) CNR1USP2TSHRALDH1A1
SCHEMBL2704254 0.74 HCRTR1 (0.70) HCRTR1HCRTR2MMP1MMP2MMP3

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 5 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
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 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 (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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D HCRTR1 2752/4885HCRTR2 722/4885MMP1 4589/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 HCRTR1 4093/4885HCRTR2 1576/4885MMP1 4446/4885

“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.