Sugi Predict

Sugi Predict / Compounds / SCHEMBL1126789

SCHEMBL1126789

SCHEMBL1126789

CCOC(=O)c1[nH]cc(C)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ GRM6 O15303 1/20 0.47
▸ TSHR P16473 2/20 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
SCHEMBL1750679 0.88 ALDH1A1 (0.46) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL23112968 0.87 RAB9A (0.50) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL26113942 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL15497074 0.85 POLB (0.46) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL15497049 0.85 TP53 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL31189689 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL1585807 0.80 RPA1 (0.51) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL9591700 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL5730486 0.80 ALDH1A1 (0.53) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL4375217 0.80 ALDH1A1 (0.49) ALDH1A1HPGDMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432209-B1 PHENYLPYRROLIC COMPOUNDS USED AS DRUGS, THEIR PREPARATION AND APPLICATION CENTRE NAT RECH SCIENT (FR) 1994-02-02 — — EP claimed
US-5189055-A Antimitotic, anticarcinogenic CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-02-23 — — US claimed
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 — — US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 — — EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 — — EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 — — WO disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 — — US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 — — US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 — — US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 — — US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 — — EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 — — WO disclosed
CN-101500994-A 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2009-08-05 — — CN disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 — — US disclosed
US-5189055-A Antimitotic, anticarcinogenic CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-02-23 — — US disclosed
US-5049602-A Heat resistance HUELS AKTIENGESELLSCHAFT (DE) 1991-09-17 — — US disclosed
EP-0419792-A1 Pyrroles as costabilizers for vinylchloride polymerisate based mouldings HÜLS AKTIENGESELLSCHAFT (DE) 1991-04-03 — — EP disclosed
EP-0419794-A1 Costabilizers for vinyl chloride polymerisate based mouldings HÜLS AKTIENGESELLSCHAFT (DE) 1991-04-03 — — EP 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 (5 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI ALDH1A1 210/4885HPGD 372/4885MAPT 2741/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI ALDH1A1 210/4885HPGD 372/4885MAPT 2741/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HPGD 2971/4885MAPT 1696/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 ALDH1A1 2168/4885HPGD 936/4885MAPT 1404/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HPGD 2971/4885MAPT 1696/4885

“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.