SCHEMBL4189534

SCHEMBL4189534

O=S(=O)(Nc1ccccc1CN[C@@H](CO)CC1CCCCC1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PKM P14618 2/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 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
TSHR P16473 1/20 0.39
PGAM1 P18669 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4198105 0.86 NPC1 (0.49) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4199654 0.85 NPC1 (0.50) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4189902 0.82 NPC1 (0.45) ALDH1A1PKMMCOLN3NPC1GAA
Cyclohexanol SCHEMBL4190330 0.81 NPC1 (0.50) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4201610 0.80 PKM (0.44) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4202523 0.80 PKM (0.51) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4195126 0.79 NPC1 (0.44) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4189973 0.79 PKM (0.42) ALDH1A1PKMMCOLN3NPC1GAA
SCHEMBL4194027 0.79 PKM (0.52) ALDH1A1PKMNPC1GAAKDM4E
SCHEMBL4190323 0.78 NPC1 (0.47) ALDH1A1PKMMCOLN3NPC1GAA

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-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
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 ALDH1A1 2744/4885PKM 1855/4885MCOLN3 3450/4885

“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.