SCHEMBL417809

SCHEMBL417809

CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.71
SERPINE1 P05121 2/20 0.65
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HIF1A Q16665 2/20 0.56
EPAS1 Q99814 1/20 0.56
POLB P06746 1/20 0.55
G6PD P11413 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 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
SCHEMBL420665 0.90 HCAR2 (0.60) HCAR2SERPINE1ALDH1A1THRBCYP1A2
SCHEMBL29838604 0.88 SERPINE1 (0.63) HCAR2SERPINE1ALDH1A1THRBCYP1A2
SCHEMBL421005 0.88 SERPINE1 (0.63) HCAR2SERPINE1ALDH1A1THRBCYP1A2
SCHEMBL418985 0.84 THRB (0.72) SERPINE1ALDH1A1THRBCYP1A2CYP3A4
SCHEMBL420814 0.83 SERPINE1 (0.66) HCAR2SERPINE1ALDH1A1THRBCYP1A2
SCHEMBL3987191 0.83 HCAR2 (1.00) HCAR2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL417712 0.82 TP53 (0.64) HCAR2SERPINE1ALDH1A1THRBCYP1A2
SCHEMBL31252835 0.81 ALDH1A1 (0.56) SERPINE1ALDH1A1THRBCYP1A2CYP3A4
SCHEMBL14075199 0.80 DVL1 (0.66) HCAR2SERPINE1ALDH1A1THRBCYP1A2
SCHEMBL420142 0.79 SERPINE1 (1.00) SERPINE1POLBKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039276-A1 INHIBITOR AGAINST EXPRESSION OF IMMUNE CHECKPOINT MOLECULE Renascience Inc. (JP) 2022-08-10 EP disclosed
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 HCAR2 4105/4885SERPINE1 1/4885ALDH1A1 273/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 HCAR2 3201/4885SERPINE1 1/4885ALDH1A1 1450/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HCAR2 3201/4885SERPINE1 1/4885ALDH1A1 1450/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 HCAR2 4094/4885SERPINE1 1/4885ALDH1A1 177/4885

“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.