Sugi Predict

Sugi Predict / Compounds / SCHEMBL628051

SCHEMBL628051

SCHEMBL628051

O=C(O)[C@@H]1COCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PREP P48147 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ OPRL1 P41146 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ KLK7 P49862 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ P2RX1 P51575 1/20 0.45

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
SCHEMBL628052 1.00 MEN1 (0.51) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL3148090 1.00 MEN1 (0.51) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL13259971 0.89 MEN1 (0.49) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL3419151 0.87 OPRL1 (0.49) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL28880336 0.87 OPRL1 (0.49) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL14636885 0.86 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL31536535 0.86 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL2072827 0.86 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL15307912 0.83 HTR2C (0.56) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL845485 0.82 HSD17B10 (0.52) NPSR1PREPOPRL1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 — — WO claimed
EP-3727314-B1 DEODORANT COMPOSITIONS UNILEVER IP HOLDINGS B V (NL) 2021-10-13 — — EP claimed
US-20200383891-A1 DEODORANT COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2020-12-10 — — US claimed
EP-3727314-A1 DEODORANT COMPOSITIONS Unilever PLC (GB) 2020-10-28 — — EP claimed
EP-1599574-A4 BIOTRANSFORMATION OF COMPOUNDS USING NON-PROKARYOTIC MICROALGAE TETHYS RES LLC (US) 2007-09-12 — — EP claimed
EP-1599574-A2 BIOTRANSFORMATION OF COMPOUNDS USING NON-PROKARYOTIC MICROALGAE Tethys Research LLC (US) 2005-11-30 — — EP claimed
WO-2004081176-A2 BIOTRANSFORMATION OF COMPOUNDS USING NON-PROKARYOTIC MICROALGAE TETHYS RESEARCH LLC (US) 2004-09-23 — — WO claimed
US-20040175782-A1 Biotransformation of compounds using non-prokaryotic microalgae TETHYS RESEARCH LLC 2004-09-09 — — US claimed
US-12246081-B2 Deodorant compositions CONOPCO, INC. (US) 2025-03-11 — — US disclosed
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 — — WO disclosed
US-11505617-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2022-11-22 — — US disclosed
EP-3727314-B1 DEODORANT COMPOSITIONS UNILEVER IP HOLDINGS B V (NL) 2021-10-13 — — EP disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 — — US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 — — US disclosed
EP-1599574-A2 BIOTRANSFORMATION OF COMPOUNDS USING NON-PROKARYOTIC MICROALGAE Tethys Research LLC (US) 2005-11-30 — — EP disclosed
WO-2004081176-A2 BIOTRANSFORMATION OF COMPOUNDS USING NON-PROKARYOTIC MICROALGAE TETHYS RESEARCH LLC (US) 2004-09-23 — — WO disclosed
US-20040175782-A1 Biotransformation of compounds using non-prokaryotic microalgae TETHYS RESEARCH LLC 2004-09-09 — — US disclosed
US-6685617-B1 4-(((-1-CARBOXY-2-(4-((2,6-DICHLOROBENZOYL)AMINE)PHENYL)ETHYL) AMINO)CARBONYL)-3-OXO-3-THIAZOLIDINEBUTANOIC ACID, USED AS ANTAGONISTS FOR CELLULAR ADHESION MOLECULES, AND ADMINISTERED AS ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN COMPANY 2004-02-03 — — US disclosed
CN-1313855-A Inhibitors of alpha4Betal mediated cell adhesion alpha Beta UPJOHN CO (US) 2001-09-19 — — CN disclosed
US-4511390-A STIMULANT OF NUTRIENT UPTAKE IN PLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 — — 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 (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-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 MEN1 1702/4885KMT2A 2090/4885NPSR1 58/4885
US-12246081-B2 Deodorant compositions DHODH, STS, DDT MEN1 4168/4885KMT2A 3303/4885NPSR1 3272/4885
US-20200383891-A1 DEODORANT COMPOSITIONS DHODH, STS, DDT MEN1 4168/4885KMT2A 3303/4885NPSR1 3272/4885
US-11505617-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 MEN1 1346/4885KMT2A 1831/4885NPSR1 69/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 MEN1 1346/4885KMT2A 1831/4885NPSR1 69/4885

“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.