SCHEMBL5820488

SCHEMBL5820488

O=C(CS)NCc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.68
HSD17B10 Q99714 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 5/20 0.63
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
MMP13 P45452 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 1/20 0.61
TP53 P04637 1/20 0.60
CRHBP P24387 1/20 0.60
RECQL P46063 1/20 0.60
CRHR2 Q13324 1/20 0.60

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
SCHEMBL179082 0.88 HPGD (0.73) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL179025 0.86 HPGD (0.84) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL5820481 0.85 HPGD (0.68) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL1709310 0.85 HPGD (0.73) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3567133 0.85 HPGD (0.68) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL179085 0.84 RAB9A (0.76) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL108701 0.84 KMT2A (0.73) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2937877 0.83 SMN1; SMN2 (0.70) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL5191510 0.82 HSD17B10 (0.69) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL29196210 0.82 HPGD (0.70) HPGDHSD17B10NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 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 (3 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A HPGD 4573/4885HSD17B10 612/4885NPC1 133/4885
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 HPGD 194/4885HSD17B10 476/4885NPC1 428/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HPGD 599/4885HSD17B10 1348/4885NPC1 4147/4885

“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.