SCHEMBL1798467

SCHEMBL1798467

O=C(COCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)O)Nc1sc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.64
MAPT P10636 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
PTPN5 P54829 1/20 0.64
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 4/20 0.58
ABCC1 P33527 2/20 0.58
LMNA P02545 1/20 0.58
ERO1A Q96HE7 1/20 0.57
POLB P06746 1/20 0.56
IKBKB O14920 1/20 0.55
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL1798957 0.84 NPSR1 (0.66) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL1799961 0.84 ALDH1A1 (0.62) NPSR1MAPTNPC1RAB9AKDM4E
SCHEMBL23413408 0.80 NPC1 (0.72) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL6311014 0.80 NPC1 (0.71) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL1563740 0.80 IKBKB (0.83) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL23412899 0.78 NPC1 (1.00) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL23412721 0.78 NPSR1 (0.81) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL7001041 0.78 JAK2 (0.66) NPSR1MAPTNPC1RAB9AKDM4E
SCHEMBL21259118 0.76 NPC1 (0.67) NPSR1MAPTNPC1RAB9APTPN5
SCHEMBL7899684 0.76 KDM4E (1.00) NPSR1MAPTNPC1RAB9APTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US claimed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 US claimed
US-10092537-B2 Use for PAI-1 inhibitor RENASCIENCE CO., LTD. (JP) 2018-10-09 US disclosed
US-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2016-06-09 US disclosed
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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 (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-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 NPSR1 4264/4885MAPT 4320/4885NPC1 2092/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 NPSR1 2115/4885MAPT 2975/4885NPC1 1319/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 NPSR1 4248/4885MAPT 4126/4885NPC1 1925/4885

“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.