SCHEMBL417813

SCHEMBL417813

O=C(COc1ccccc1C1CCCCC1)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
G6PD P11413 1/20 0.63
TRPM4 Q8TD43 2/20 0.56
PTGDR2 Q9Y5Y4 5/20 0.56
PTGDR Q13258 4/20 0.55
PTGER2 P43116 1/20 0.55
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.53
SERPINE1 P05121 3/20 0.53
KDM4E B2RXH2 2/20 0.52
KCNJ6 P48051 1/20 0.52
KCNJ3 P48549 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.49

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
SCHEMBL419593 0.90 PTGDR2 (0.58) POLBG6PDTRPM4PTGDR2PTGDR
SCHEMBL419999 0.81 SERPINE1 (0.66) POLBG6PDGAASMN1; SMN2LMNA
SCHEMBL418964 0.81 SERPINE1 (0.65) POLBG6PDMAPTSMN1; SMN2LMNA
SCHEMBL1015276 0.76 SERPINE1 (0.65) POLBG6PDGAASERPINE1KDM4E
SCHEMBL1015307 0.76 SERPINE1 (0.64) POLBG6PDGAAMAPTSERPINE1
SCHEMBL1012592 0.76 SERPINE1 (0.64) POLBG6PDGAASERPINE1KDM4E
SCHEMBL1015522 0.75 RAB9A (0.55) POLBG6PDSMN1; SMN2LMNASERPINE1
SCHEMBL420814 0.74 SERPINE1 (0.66) POLBG6PDTRPM4SMN1; SMN2TP53
SCHEMBL1014856 0.73 SERPINE1 (0.51) POLBG6PDTRPM4GAAMAPT
SCHEMBL4883839 0.73 PTGDR2 (1.00) POLBPTGDR2PTGDRPTGER2SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
EP-2990057-B1 PAI-1 INHIBITOR FOR USE IN ENHANCING THE ANTITUMOR EFFECT OF AN ANTITUMOR AGENT IN A PATIENT RENASCIENCE CO LTD (JP) 2019-03-20 EP disclosed
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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
CN-102378753-A Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO LTD 2012-03-14 CN disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 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 (4 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 POLB 2824/4885G6PD 387/4885TRPM4 4744/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 POLB 2730/4885G6PD 1430/4885TRPM4 4014/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 POLB 2730/4885G6PD 1430/4885TRPM4 4014/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 POLB 2556/4885G6PD 254/4885TRPM4 4730/4885

“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.