SCHEMBL1800699

SCHEMBL1800699

CC(C)c1csc(NC(=O)CCCCC(=O)Nc2ccccc2C(=O)O)c1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.38
ABCC1 P33527 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1799835 0.99 KDM4E (0.43) KDM4ENPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1801306 0.93 KMT2A (0.46) KDM4ENPC1RAB9APOLBKMT2A
SCHEMBL1799833 0.91 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1796259 0.86 RAB9A (0.52) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL1796981 0.85 RAB9A (0.51) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL1795920 0.85 PPARG (0.44) KDM4ERAB9ASMN1; SMN2POLBKMT2A
SCHEMBL1799895 0.84 KDM4E (0.51) KDM4ENPC1RAB9APOLBKMT2A
SCHEMBL1798527 0.83 ABCC1 (0.39) KMT2AALDH1A1ABCC1MEN1
SCHEMBL1799695 0.79 RAB9A (0.51) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL1796979 0.78 POLB (0.49) KDM4ERAB9ASMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US claimed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 US claimed
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-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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 (3 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 KDM4E 4253/4885NPC1 2092/4885RAB9A 2760/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 KDM4E 4309/4885NPC1 1319/4885RAB9A 2391/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 KDM4E 4348/4885NPC1 1925/4885RAB9A 2814/4885

“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.