SCHEMBL417712

SCHEMBL417712

Cc1cc(C)cc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(=O)O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ CYP1A2 P05177 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ SERPINE1 P05121 1/20 0.56
▸ POLB P06746 1/20 0.53
▸ G6PD P11413 1/20 0.53
▸ DVL1 O14640 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL418985 0.93 THRB (0.72) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL419444 0.90 TP53 (0.60) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL420814 0.89 SERPINE1 (0.66) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL419271 0.83 THRB (0.68) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL418061 0.83 SERPINE1 (0.80) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL1015691 0.83 ALDH1A1 (0.52) TP53THRBALDH1A1SMN1; SMN2SERPINE1
SCHEMBL417809 0.82 HCAR2 (0.71) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL420221 0.81 ALDH1A1 (0.68) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL29838640 0.80 SERPINE1 (0.63) TP53THRBCYP1A2CYP3A4CYP2C9
SCHEMBL419002 0.80 SERPINE1 (0.63) TP53THRBCYP1A2CYP3A4CYP2C9

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 TP53 468/4885THRB 2640/4885CYP1A2 3827/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 TP53 3329/4885THRB 3328/4885CYP1A2 2858/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 TP53 3329/4885THRB 3328/4885CYP1A2 2858/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 TP53 325/4885THRB 2660/4885CYP1A2 3503/4885

“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.

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