SCHEMBL1318633

SCHEMBL1318633

CCCCC(C(=O)O)N(c1ccc2ccc(NC(=O)c3cc(Cl)ccn3)cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
RAF1 P04049 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
USP2 O75604 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
SCHEMBL1110232 0.88 CA12 (0.42) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1319541 0.82 NAMPT (0.45) RAB9ACA12CA1CA9
SCHEMBL12116679 0.80 NPC1 (0.42) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1110182 0.80 PSEN1 (0.36) ITGA4PSEN1PSEN2APH1BNCSTN
SCHEMBL1110198 0.78 CYP3A4 (0.36) L3MBTL1ITGA4PSEN1PSEN2APH1B
SCHEMBL1110188 0.78 PSEN1 (0.39) ALDH1A1SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL1110265 0.78 PSEN1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1319294 0.77 KDM4C (0.38) NPC1RAB9AKDM4CHPGDMAPT
SCHEMBL1110298 0.77 MMP13 (0.36) ALDH1A1L3MBTL1CA12CA1CA9
SCHEMBL1111051 0.77 EDNRB (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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 NPC1 1879/4885RAB9A 2091/4885CASP3 4346/4885

“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.