Sugi Predict

Sugi Predict / Compounds / SCHEMBL2968523

SCHEMBL2968523

SCHEMBL2968523

CC(=O)CCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.57
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ ERCC5 P28715 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ CES2 O00748 1/20 0.48

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
SCHEMBL13664137 0.89 MMP1 (0.68) GSK3BKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL16552727 0.89 GSK3B (0.70) GSK3BKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11686001 0.89 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3141694 0.83 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8532385 0.81 HSD17B3 (0.67) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL392858 0.81 NR4A2 (0.65) GSK3BKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL28372673 0.81 L3MBTL1 (0.72) GSK3BKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL822848 0.81 KMT2A (0.70) GSK3BKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL908578 0.81 ERCC5 (0.62) GSK3BKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11606030 0.81 ERCC5 (0.62) GSK3BKMT2AMEN1SMN1; SMN2NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342963-A 1, 4-dicarbonyl compound, and preparation method and application thereof 上海予君生物科技发展有限公司 2024-01-05 — — CN disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 — — US disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 — — US disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 — — US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 — — US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 — — US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 — — US disclosed
WO-2014195970-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-11 — — WO disclosed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 — — US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 — — US disclosed
EP-1857442-A2 Novel antimycobacterial compounds Lupin Limited (IN) 2007-11-21 — — EP disclosed
EP-1750765-B1 ANTIMYCOBACTERIAL PHARMACEUTICAL COMPOSITION COMPRISING AN ANTITUBERCULAR DRUG LUPIN LTD (IN) 2007-09-19 — — EP disclosed
EP-1750765-A2 ANTIMYCOBACTERIAL PHARMACEUTICAL COMPOSITION COMPRISING AN ANTITUBERCULAR DRUG Lupin Limited (IN) 2007-02-14 — — EP disclosed
US-20050256128-A1 Antimycobacterial pharmaceutical composition LUPIN LTD 2005-11-17 — — US disclosed
WO-2005107809-A2 ANTIMYCOBACTERIAL PHARMACEUTICAL COMPOSITION COMPRISING AN ANTITUBERCULAR DRUG LUPIN LIMITED (IN) 2005-11-17 — — WO disclosed
EP-1546097-A1 PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS Lupin Limited (IN) 2005-06-29 — — EP disclosed
US-20050107370-A1 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2005-05-19 — — US disclosed
WO-2004026828-A1 PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS LUPIN LIMITED (IN) 2004-04-01 — — WO disclosed
US-5194619-A PROCESS FOR THE PREPARATION OF SUBSTITUTED INDENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-16 — — US disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 — — 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-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION PYCR1, MIF, PGLS GSK3B 3088/4885KMT2A 4251/4885MEN1 1404/4885
US-20050256128-A1 Antimycobacterial pharmaceutical composition H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT, PHOSPHO1 GSK3B 3242/4885KMT2A 1795/4885MEN1 3543/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS GSK3B 3852/4885KMT2A 2578/4885MEN1 2853/4885
US-20050107370-A1 Pyrrole derivatives as antimycobacterial compounds PGLS, SDHA, SDHB GSK3B 3609/4885KMT2A 4016/4885MEN1 4655/4885

“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.