SCHEMBL4201610

SCHEMBL4201610

O=S(=O)(Nc1ccccc1CNCC(F)CC1CCCCC1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
BRAF P15056 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4190549 0.93 PKM (0.49) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4198105 0.82 NPC1 (0.49) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4199654 0.81 NPC1 (0.50) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4189534 0.80 ALDH1A1 (0.45) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4189902 0.78 NPC1 (0.45) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4195126 0.77 NPC1 (0.44) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4203662 0.77 NPC1 (0.48) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4708236 0.77 PKM (0.44) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4202523 0.76 PKM (0.51) PKMMCOLN3NPC1ALDH1A1KDM4E
SCHEMBL4200038 0.76 PKM (0.48) PKMMCOLN3ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203504-B Antimicrobial agents RANBAXY LAB LTD 2012-11-14 CN 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
CN-101203504-A Antimicrobial agents RANBAXY LAB LTD (IN) 2008-06-18 CN claimed
CN-101203504-B Antimicrobial agents RANBAXY LAB LTD 2012-11-14 CN 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
CN-101203504-A Antimicrobial agents RANBAXY LAB LTD (IN) 2008-06-18 CN disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO 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 PKM 1855/4885MCOLN3 3450/4885NPC1 1859/4885

“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.