SCHEMBL418985

SCHEMBL418985

Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.72
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
TP53 P04637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
SERPINE1 P05121 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HIF1A Q16665 1/20 0.56
EPAS1 Q99814 1/20 0.56
POLB P06746 1/20 0.55
G6PD P11413 1/20 0.55
DVL1 O14640 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL417712 0.93 TP53 (0.64) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL420814 0.91 SERPINE1 (0.66) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL419271 0.90 THRB (0.68) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL418061 0.84 SERPINE1 (0.80) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL417809 0.84 HCAR2 (0.71) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL419444 0.83 TP53 (0.60) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL420221 0.83 ALDH1A1 (0.68) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL419002 0.81 SERPINE1 (0.63) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29838640 0.81 SERPINE1 (0.63) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL419348 0.81 SERPINE1 (0.79) THRBCYP1A2CYP3A4CYP2C9CYP2C19

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-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
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 THRB 2640/4885CYP1A2 3827/4885CYP3A4 4166/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 THRB 3328/4885CYP1A2 2858/4885CYP3A4 2994/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 THRB 3328/4885CYP1A2 2858/4885CYP3A4 2994/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 THRB 2660/4885CYP1A2 3503/4885CYP3A4 3946/4885

“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.