Sugi Predict

Sugi Predict / Compounds / SCHEMBL525258

SCHEMBL525258

SCHEMBL525258

O=C1[C@@H]2[C@H](C(=O)N1O)[C@@H]1C=C[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ HTT P42858 3/20 0.53
▸ USP2 O75604 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ RECQL P46063 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ MAPT P10636 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
SCHEMBL29900107 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL22922483 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL6052 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL18049094 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL18386589 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL30734372 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL31289550 0.86 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2L3MBTL1KMT2A
Toluene SCHEMBL29171791 0.84 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL28408842 0.80 ALDH1A1 (0.64) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL16592563 0.78 ALDH1A1 (0.64) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801325-B2 Tissue-adhesive polymers POLYGANICS IP B.V. (NL) 2023-10-31 — — US claimed
EP-3687588-B1 TISSUE-ADHESIVE SEALANT DEVICE POLYGANICS IP B V (NL) 2022-07-20 — — EP claimed
CN-113614100-A Method for preparing degarelix 费森尤斯卡比依普莎姆有限责任公司 2021-11-05 — — CN claimed
US-20200282103-A1 Tissue-Adhesive Polymers POLYGANICS IP B.V. (NL) 2020-09-10 — — US claimed
EP-3687588-A2 TISSUE-ADHESIVE SEALANT DEVICE Polyganics IP B.V. (NL) 2020-08-05 — — EP claimed
CN-111372617-A Tissue adhesive sealant device 聚合物器官 IP 股份有限公司 2020-07-03 — — CN claimed
CN-111356485-A Improved tissue adhesive polymers 聚合物器官 IP 股份有限公司 2020-06-30 — — CN claimed
WO-2019066657-A2 TISSUE-ADHESIVE SEALANT DEVICE POLYGANICS IP B.V. (NL) 2019-04-04 — — WO claimed
US-7531658-B2 Reacting 17-carboxylic acid-3-oxo-4-azasteroid with carbonyl- or sulfinyl-diimidazole and amidating the product with an amime in the presence of a heterocyclic hydroxyl activator; avoids the use of expensive and moisture sensitive organomagnesium halide; preparing Finasteride and Dutasteride APOTEX PHARMACHEM INC. (CA) 2009-05-12 — — US claimed
WO-2008101308-A1 PROCESS FOR THE PREPARATION OF 17-N-SUBSTITUTED-CARBAMOYL-4-AZA-ANDROST-1 -EN-3-ONES APOTEX PHARMACHEM INC. (CA) 2008-08-28 — — WO claimed
US-20070173523-A1 Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones APOTEX PHARMACHEM INC. (CA) 2007-07-26 — — US claimed
EP-0755374-B1 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO INC (US) 2000-08-16 — — EP claimed
EP-0755374-A4 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO INC (US) 1998-09-16 — — EP claimed
US-5773575-A REACTING A CARBOXYLIC ACID AND AMINE WITH COUPLING AGENT MERCK & CO., INC. (US) 1998-06-30 — — US claimed
EP-0755374-A1 PROCESS FOR PEPTIDE SEGMENT CONDENSATION Merck & Co., Inc. (a New Jersey corp.) (US) 1997-01-29 — — EP claimed
US-5502165-A AMIDATION OF CARBOXY COMPOOUND WITH AMINE IN WATER AND SOLVENT MERCK & CO., INC. (US) 1996-03-26 — — US claimed
WO-1995027727-A2 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO., INC. (US) 1995-10-19 — — WO claimed
US-12630717-B2 Wood-derived lignin composition UPM-KYMMENE CORPORATION (FI) 2026-05-19 — — US disclosed
US-5502165-A AMIDATION OF CARBOXY COMPOOUND WITH AMINE IN WATER AND SOLVENT MERCK & CO., INC. (US) 1996-03-26 — — US disclosed
WO-1995027727-A2 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO., INC. (US) 1995-10-19 — — WO 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 (2 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-20070173523-A1 Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones CYP17A1, CYP19A1, NR5A1 ALDH1A1 275/4885TDP1 2903/4885SMN1; SMN2 4281/4885
US-12630717-B2 Wood-derived lignin composition DCXR, SORD, PLOD1 ALDH1A1 308/4885TDP1 959/4885SMN1; SMN2 2447/4885

“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.