SCHEMBL539118

SCHEMBL539118

COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.49
CREBBP Q92793 5/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RHOC P08134 1/20 0.44

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
SCHEMBL422464 0.86 MEN1 (0.61) EP300CREBBPALDH1A1TP53MEN1
SCHEMBL419098 0.81 RHOA (0.56) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL3106237 0.78 RHOC (0.62) EP300CREBBPALDH1A1TSHRCYP2C9
SCHEMBL3106245 0.78 RHOC (0.62) EP300CREBBPALDH1A1TSHRCYP2C9
SCHEMBL415913 0.78 SERPINE1 (0.51) EP300CREBBPRHOCRHOA
SCHEMBL415912 0.78 SERPINE1 (0.51) EP300CREBBPRHOCRHOA
SCHEMBL3870310 0.77 KDM4E (0.70) ALDH1A1MEN1KMT2ATSHRCYP2C19
SCHEMBL3871074 0.77 KDM4E (0.70) ALDH1A1MEN1KMT2ATSHRCYP2C19
SCHEMBL3870313 0.77 KDM4E (0.70) ALDH1A1MEN1KMT2ATSHRCYP2C19
SCHEMBL417046 0.76 SERPINE1 (0.47) EP300CREBBPHCRTR1HCRTR2ALDH1A1

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 5 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
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
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP 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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 EP300 1490/4885CREBBP 2201/4885HCRTR1 4386/4885

“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.