SCHEMBL1799473

SCHEMBL1799473

O=C(CSCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.73
▸ CACNA2D1 P54289 12/20 0.51
▸ CACNB1 Q02641 12/20 0.51
▸ CACNA1B Q00975 11/20 0.51
▸ CACNA1C Q13936 6/20 0.51
▸ CACNA1G O43497 6/20 0.51
▸ CACNA1A O00555 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CACNA1H O95180 1/20 0.46

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
Hydrochloric Acid SCHEMBL1800586 0.99 SERPINE1 (0.72) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1800427 0.91 SERPINE1 (0.64) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1798040 0.85 SERPINE1 (0.75) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1798984 0.85 SERPINE1 (1.00) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1799860 0.84 SERPINE1 (0.98) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL29351719 0.84 SERPINE1 (0.98) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1798505 0.83 SERPINE1 (0.71) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL539165 0.82 SERPINE1 (0.70) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL418105 0.82 SERPINE1 (0.69) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C
Hydrochloric Acid SCHEMBL416268 0.81 SERPINE1 (0.68) SERPINE1CACNA2D1CACNB1CACNA1BCACNA1C

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 SERPINE1 1/4885CACNA2D1 4373/4885CACNB1 4276/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885CACNA2D1 3723/4885CACNB1 3457/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885CACNA2D1 4383/4885CACNB1 4294/4885

“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.

Send feedback