SCHEMBL1797277

SCHEMBL1797277

O=C(COCC(=O)NC(c1ccccc1)c1ccccc1)Nc1ccc(-c2ccncc2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
SERPINE1 P05121 2/20 0.45
PTPN1 P18031 1/20 0.44
TSHR P16473 1/20 0.43
ROCK2 O75116 6/20 0.43
GSK3B P49841 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
MAP4K4 O95819 3/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CDC7 O00311 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK1 Q13464 6/20 0.41
KDM4C Q9H3R0 1/20 0.40
RPS6KA5 O75582 3/20 0.40
AKT1 P31749 3/20 0.40
NEK4 P51957 3/20 0.40

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
SCHEMBL1799009 0.91 TSHR (0.46) AAK1TSHRROCK2GSK3BCLK4
SCHEMBL1798766 0.88 HCAR2 (0.47) SERPINE1PTPN1TSHRKDM4EPOLB
SCHEMBL1799401 0.82 PTPN1 (0.64) SERPINE1PTPN1KDM4EPOLBALDH1A1
SCHEMBL1797489 0.81 SERPINE1 (0.64) SERPINE1TSHRKDM4EPOLBALDH1A1
SCHEMBL1797284 0.81 CDC7 (0.48) AAK1SERPINE1PTPN1ROCK2GSK3B
SCHEMBL1798523 0.80 SERPINE1 (0.73) AAK1SERPINE1ALDH1A1KMT2AMAPK1
SCHEMBL1796132 0.80 TSHR (0.47) TSHRKDM4EPOLBALDH1A1HPGD
SCHEMBL1795910 0.80 SERPINE1 (0.72) AAK1SERPINE1ALDH1A1KMT2AMAPK1
SCHEMBL1798374 0.79 SERPINE1 (0.43) SERPINE1TSHRKDM4EPOLBALDH1A1
SCHEMBL1800597 0.75 PTPN1 (0.56) SERPINE1PTPN1TSHRKDM4EPOLB

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 AAK1 569/4885SERPINE1 1/4885PTPN1 3814/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 AAK1 1034/4885SERPINE1 1/4885PTPN1 853/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 AAK1 576/4885SERPINE1 1/4885PTPN1 4113/4885

“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.