SCHEMBL308880

SCHEMBL308880

CC(C)(C)[C@@]1(C)CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1B Q00975 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL309950 0.92 EPHX2 (0.47) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL309819 0.88 IDH1 (0.43) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL308315 0.87 EPHX2 (0.45) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL309656 0.78 MMP1 (0.42) EPHX2ALDH1A1MEN1KMT2AATM
SCHEMBL15916140 0.75 EPHX2 (0.55) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL2833230 0.74 EPHX2 (0.51) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL309691 0.72 EPHX2 (0.55) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL308446 0.71 TRPV4 (0.41) EPHX2ALDH1A1MEN1KMT2AATM
SCHEMBL1430100 0.71 TRPV4 (0.41) EPHX2ALDH1A1MEN1KMT2AATM
SCHEMBL1432151 0.69 EPHX2 (0.52) EPHX2ALDH1A1MEN1TSHRKMT2A

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 4 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
EP-2313413-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-04-27 EP disclosed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP 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 (1 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 3915/4885ALDH1A1 3984/4885MEN1 4136/4885

“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.