Sugi Predict

Sugi Predict / Compounds / SCHEMBL309950

SCHEMBL309950

SCHEMBL309950

CC(C)(C)[C@@]1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Br)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.47
▸ TRPV4 Q9HBA0 3/20 0.41
▸ TSHR P16473 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 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
SCHEMBL308880 0.92 EPHX2 (0.47) EPHX2TSHRALDH1A1MEN1KMT2A
SCHEMBL308315 0.89 EPHX2 (0.45) EPHX2TRPV4TSHRALDH1A1MEN1
SCHEMBL309819 0.86 IDH1 (0.43) EPHX2TSHRALDH1A1MEN1KMT2A
SCHEMBL309656 0.80 MMP1 (0.42) EPHX2ALDH1A1MEN1KMT2AATM
SCHEMBL2835422 0.74 EPHX2 (0.51) EPHX2TRPV4TSHRALDH1A1MEN1
SCHEMBL1430100 0.73 TRPV4 (0.41) EPHX2TRPV4ALDH1A1MEN1KMT2A
SCHEMBL308446 0.73 TRPV4 (0.41) EPHX2TRPV4ALDH1A1MEN1KMT2A
SCHEMBL12656426 0.71 EPHX2 (0.56) EPHX2TRPV4TSHRALDH1A1MEN1
SCHEMBL5717200 0.69 EPHX2 (0.46) EPHX2TRPV4TSHRALDH1A1MEN1
SCHEMBL5717276 0.69 EPHX2 (0.59) EPHX2TSHRKMT2AL3MBTL1MAPT

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 6 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
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO 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 3915/4885TRPV4 44/4885TSHR 4005/4885

“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.