SCHEMBL2208558

SCHEMBL2208558

CC(C)(C)[C@H]1CC[C@@]2(CC1)CC(C(=O)NCc1ccc(NS(C)(=O)=O)cc1)=NO2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 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
SCHEMBL2204827 1.00 EPHX2 (0.48) EPHX2NR1H4TRPV1MEN1PKM
SCHEMBL2205140 1.00 EPHX2 (0.48) EPHX2NR1H4TRPV1MEN1PKM
SCHEMBL4673169 0.95 EPHX2 (0.44) EPHX2NR1H4TRPV1MEN1PKM
SCHEMBL2207528 0.86 TRPV1 (0.47) TRPV1
SCHEMBL2207527 0.86 TRPV1 (0.47) TRPV1
SCHEMBL2208382 0.86 TRPV1 (0.47) TRPV1
SCHEMBL2205850 0.85 EPHX2 (0.44) EPHX2MEN1KMT2A
SCHEMBL4620004 0.84 EPHX2 (0.41) EPHX2NR1H4TRPV1
SCHEMBL4619951 0.84 EPHX2 (0.41) EPHX2NR1H4TRPV1
SCHEMBL2210571 0.84 ALDH1A1 (0.42) ALDH1A1

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-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 EPHX2 1541/4885NR1H4 60/4885TRPV1 649/4885

“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.