SCHEMBL5128085

SCHEMBL5128085

O=C(COCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKLR P30613 4/20 0.50
HCRTR1 O43613 1/20 0.39
NR3C1 P04150 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNQ1 P51787 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2B Q13224 1/20 0.37
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3823420 0.89 HCRTR1 (0.40) PKLRHCRTR1EPHX2KCNQ1ALDH1A1
SCHEMBL5122750 0.86 AVPR1A (0.47) PKLRHCRTR1EPHX2LMNA
SCHEMBL5129017 0.85 PKLR (0.51) PKLRGAACASP1CASP3CASP7
SCHEMBL5128172 0.84 PKLR (0.40) PKLREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL5121908 0.84 CCR1 (0.47) HCRTR1
SCHEMBL5123813 0.84 CCR1 (0.39) HCRTR1KCNQ1ALDH1A1GAASMN1; SMN2
SCHEMBL5122035 0.83 OPRL1 (0.44) PKLRHCRTR1OPRM1OPRK1
SCHEMBL5125464 0.83 PKLR (0.47) PKLRALDH1A1SMN1; SMN2PKM
SCHEMBL5121394 0.83 BDKRB1 (0.42) PKLRALDH1A1OPRM1OPRK1
SCHEMBL3441492 0.82 HCRTR1 (0.48) HCRTR1KCNQ1ALDH1A1GAASMN1; SMN2

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-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 PKLR 746/4885HCRTR1 212/4885NR3C1 1811/4885

“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.