SCHEMBL4199654

SCHEMBL4199654

C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 4/20 0.45
PKM P14618 3/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
BRAF P15056 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HTT P42858 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
SCHEMBL4198105 0.99 NPC1 (0.49) NPC1ALDH1A1PKMMCOLN3TP53
SCHEMBL4189902 0.94 NPC1 (0.45) NPC1ALDH1A1PKMMCOLN3TP53
SCHEMBL4194027 0.93 PKM (0.52) NPC1ALDH1A1PKMKDM4EHPGD
SCHEMBL4202523 0.92 PKM (0.51) NPC1ALDH1A1PKMMCOLN3KDM4E
SCHEMBL4197766 0.91 NPC1 (0.47) NPC1ALDH1A1PKMMCOLN3TP53
SCHEMBL4197992 0.89 MEN1 (0.42) NPC1ALDH1A1PKMMCOLN3TP53
SCHEMBL4189973 0.89 PKM (0.42) NPC1ALDH1A1PKMMCOLN3TP53
SCHEMBL4195424 0.88 PKM (0.53) NPC1ALDH1A1PKMKDM4EGAA
SCHEMBL4197319 0.88 KDM4E (0.41) NPC1ALDH1A1PKMMCOLN3KDM4E
SCHEMBL4204025 0.88 GHSR (0.41) NPC1ALDH1A1PKMKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 NPC1 1859/4885ALDH1A1 2744/4885PKM 1855/4885

“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.