SCHEMBL309656

SCHEMBL309656

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
EPHX2 P34913 3/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL308315 0.86 EPHX2 (0.45) EPHX2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1430100 0.84 TRPV4 (0.41) MMP2EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL308446 0.84 TRPV4 (0.41) MMP2EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL309950 0.80 EPHX2 (0.47) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL309819 0.78 IDH1 (0.43) EPHX2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL308880 0.78 EPHX2 (0.47) EPHX2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5436955 0.73 SMN1; SMN2 (0.52) EPHX2HCRTR1HCRTR2MAPTNPC1
SCHEMBL2962426 0.72 SMN1; SMN2 (0.47) MMP1MMP2MMP3MMP7MMP13
SCHEMBL2840532 0.71 EPHX2 (0.45) MMP1MMP2MMP3MMP7MMP13
SCHEMBL2834513 0.71 EPHX2 (0.45) MMP1MMP2MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 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 (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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D MMP1 4589/4885MMP2 4676/4885MMP3 4534/4885
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 MMP1 4505/4885MMP2 4520/4885MMP3 4574/4885

“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.