SCHEMBL2834513

SCHEMBL2834513

Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C(=O)O)[C@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 4/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2840532 1.00 EPHX2 (0.45) EPHX2HCRTR1HCRTR2MMP1MMP2
SCHEMBL3715552 0.88 HTT (0.43) EPHX2HCRTR1HCRTR2MAPTCNR1
SCHEMBL309655 0.85 F13A1 (0.48) EPHX2HCRTR1HCRTR2MMP1MMP2
SCHEMBL12965416 0.85 F13A1 (0.48) EPHX2HCRTR1HCRTR2MMP1MMP2
SCHEMBL2832484 0.84 EPHX2 (0.48) EPHX2HCRTR1HCRTR2MAPTUSP2
SCHEMBL2831230 0.83 TRPV4 (0.42) EPHX2MMP2USP2TSHRCNR1
SCHEMBL2836332 0.83 TRPV4 (0.42) EPHX2MMP2USP2TSHRCNR1
SCHEMBL2832689 0.79 HCRTR1 (0.49) EPHX2HCRTR1HCRTR2MMP1MMP2
SCHEMBL2835422 0.77 EPHX2 (0.51) EPHX2MMP2MMP13MAPTUSP2
SCHEMBL6110397 0.76 EPHX2 (0.53) EPHX2HCRTR1HCRTR2MMP1MMP2

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 EPHX2 3915/4885HCRTR1 2752/4885HCRTR2 722/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885HCRTR1 4093/4885HCRTR2 1576/4885

“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.