SCHEMBL1319987

SCHEMBL1319987

CCCCC(C(=O)O)N(c1ccc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34
MTTP P55157 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK10 P53779 1/20 0.33

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
SCHEMBL1110137 0.90 HSD11B1 (0.46) HSD11B1ALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL1318480 0.87 HDAC2 (0.36) HSD11B1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL1110424 0.84 HSD11B1 (0.49) HSD11B1ALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1318726 0.84 NAMPT (0.41) SMN1; SMN2CASP1HTTMEN1KMT2A
SCHEMBL1318463 0.84 SMN1; SMN2 (0.39) HSD11B1ALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL1110147 0.82 POLB (0.35) POLBHTTMEN1KMT2AMAPK1
SCHEMBL1110251 0.82 PLK1 (0.36) KDM4ESMN1; SMN2POLBHSD17B10CASP1
SCHEMBL1110367 0.81 HTT (0.43) ALDH1A1KDM4EPOLBHTTMEN1
SCHEMBL12119660 0.81 HSD11B1 (0.45) HSD11B1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL1110315 0.81 HTT (0.36) ALDH1A1POLBHPGDHTT

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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 HSD11B1 943/4885ALDH1A1 49/4885KDM4E 1402/4885

“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.