SCHEMBL308446

SCHEMBL308446

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.41
GPR6 P46095 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ADAM10 O14672 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1430100 1.00 TRPV4 (0.41) TRPV4GPR6MEN1KMT2ACNR1
SCHEMBL309656 0.84 MMP1 (0.42) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL308315 0.83 EPHX2 (0.45) TRPV4MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL309819 0.76 IDH1 (0.43) MEN1KMT2ACNR1SMN1; SMN2GAA
SCHEMBL2836332 0.73 TRPV4 (0.42) TRPV4GPR6MEN1KMT2ACNR1
SCHEMBL2831230 0.73 TRPV4 (0.42) TRPV4GPR6MEN1KMT2ACNR1
SCHEMBL309950 0.73 EPHX2 (0.47) TRPV4MEN1KMT2ACNR1LMNA
SCHEMBL20003515 0.72 TRPV4 (0.52) TRPV4
SCHEMBL2224488 0.72 TGM2 (0.60) LMNAEPHX2
SCHEMBL308880 0.71 EPHX2 (0.47) MEN1KMT2ACNR1SMN1; SMN2LMNA

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 TRPV4 44/4885GPR6 868/4885MEN1 4136/4885
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 TRPV4 51/4885GPR6 819/4885MEN1 3979/4885

“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.