SCHEMBL5820481

SCHEMBL5820481

O=C(C[S])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
ALDH1A1 P00352 4/20 0.68
GAA P10253 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
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
ALOX12 P18054 1/20 0.61
MAPT P10636 1/20 0.61
TP53 P04637 1/20 0.60
CRHBP P24387 1/20 0.60
RECQL P46063 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) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL179025 0.86 HPGD (0.84) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL1709310 0.85 HPGD (0.73) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL5820488 0.85 HPGD (0.68) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL3567133 0.85 HPGD (0.68) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL179085 0.84 RAB9A (0.76) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL108701 0.84 KMT2A (0.73) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL2937877 0.83 SMN1; SMN2 (0.70) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL5191510 0.82 HSD17B10 (0.69) HPGDHSD17B10NPC1RAB9AALDH1A1
SCHEMBL31248383 0.82 HSD17B10 (0.69) HPGDHSD17B10NPC1RAB9AALDH1A1

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 9 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
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 (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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A HPGD 4573/4885HSD17B10 612/4885NPC1 133/4885

“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.