SCHEMBL4499411

SCHEMBL4499411

O=C(O)c1ccccc1S(=O)(=O)N1CCC2(CC1)CN(Cc1ccc(F)cc1)C(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 0.46
SSTR5 P35346 3/20 0.44
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL1085958 0.90 HSD17B10 (0.43) TACR2TACR1SSTR5PKMLMNA
SCHEMBL4502178 0.84 MMP2 (0.40) TACR2TACR1SSTR5ALDH1A1SMN1; SMN2
SCHEMBL1086737 0.82 TACR2 (0.51) TACR2TACR1
SCHEMBL4498285 0.82 PKM (0.43) SSTR5PKMALDH1A1LMNAGAA
SCHEMBL1086606 0.80 ALDH1A1 (0.48) PKMALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18445998 0.79 TACR2 (0.48) TACR2TACR1ALDH1A1HTT
SCHEMBL1086684 0.75 PKM (0.43) PKMALDH1A1LMNAGAAHTT
SCHEMBL1086446 0.75 HSD17B10 (0.42) ALDH1A1LMNAHTT
SCHEMBL1086523 0.74 TP53 (0.44) TACR2TACR1ALDH1A1GAA
SCHEMBL1086574 0.74 KDM4E (0.45) TACR2TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC TACR2 1923/4885TACR1 1796/4885SSTR5 413/4885

“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.