Sugi Predict

Sugi Predict / Compounds / SCHEMBL4544324

SCHEMBL4544324

SCHEMBL4544324

COC(=O)c1cc(C(C)=O)c[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.67
▸ BAZ2A Q9UIF9 1/20 0.67
▸ ALDH1A1 P00352 4/20 0.61
▸ GAA P10253 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMYD3 Q9H7B4 2/20 0.49
▸ AKR1C3 P42330 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL70354 0.88 BAZ2B (0.71) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL11898897 0.85 BAZ2B (0.63) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL1664710 0.85 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL409737 0.85 BAZ2B (0.57) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL9918754 0.83 BAZ2B (0.65) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL9197119 0.81 BAZ2B (0.63) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL27483961 0.81 SMYD3 (0.51) BAZ2BBAZ2AALDH1A1GAASMYD3
SCHEMBL4674699 0.80 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL25815377 0.80 BAZ2B (1.00) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL2661552 0.80 ALDH1A1 (0.69) BAZ2BBAZ2AALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 — — CN disclosed
CN-111433207-B As alpha V Pyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2023-07-25 — — CN disclosed
CN-110139864-B Pyrrole amides as alpha V integrin inhibitors 百时美施贵宝公司 2022-08-23 — — CN disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 — — US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 — — EP disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 — — EP disclosed
US-11168080-B2 Dynamin-1-like protein inhibitors MITOBRIDGE, INC. (US) 2021-11-09 — — US disclosed
US-11168080-B2 Dynamin-1-like protein inhibitors MITOBRIDGE, INC. (US) 2021-11-09 — — US disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 — — US disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 — — EP disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 — — WO disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 — — US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 — — US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 — — US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 — — US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 — — US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 — — EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — 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 (7 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-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 BAZ2B 2707/4885BAZ2A 3506/4885ALDH1A1 919/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 BAZ2B 1486/4885BAZ2A 1513/4885ALDH1A1 744/4885
US-11168080-B2 Dynamin-1-like protein inhibitors DNM1L, DNM1, DNM2 BAZ2B 1175/4885BAZ2A 970/4885ALDH1A1 4737/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 BAZ2B 1707/4885BAZ2A 1564/4885ALDH1A1 364/4885
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 BAZ2B 497/4885BAZ2A 782/4885ALDH1A1 435/4885
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 BAZ2B 1850/4885BAZ2A 2513/4885ALDH1A1 1307/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA BAZ2B 2503/4885BAZ2A 3011/4885ALDH1A1 725/4885

“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.