SCHEMBL417864

SCHEMBL417864

Cc1sc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 10/20 0.49
HPGD P15428 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SERPINE1 P05121 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
GRIN2C Q14957 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
SCHEMBL418155 0.87 NPC1 (0.46) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21247046 0.84 ALDH1A1 (0.66) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21253116 0.80 MAPT (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21247359 0.77 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29896882 0.76 TP53 (0.50) RAB9ANPC1SMN1; SMN2CYP2C9CYP3A4
SCHEMBL21247226 0.76 KDR (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13837823 0.74 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12998105 0.73 NPC1 (0.64) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21247213 0.71 RAB9A (0.51) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28052537 0.71 GRM6 (0.40) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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 RAB9A 2760/4885NPC1 2092/4885ALDH1A1 273/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 RAB9A 2650/4885NPC1 893/4885ALDH1A1 1450/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 RAB9A 2650/4885NPC1 893/4885ALDH1A1 1450/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 RAB9A 2814/4885NPC1 1925/4885ALDH1A1 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.