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Sugi Predict / Compounds / SCHEMBL993145

SCHEMBL993145

SCHEMBL993145

COC(=O)[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MDM4 O15151 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ KCNN4 O15554 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL346218 1.00 ALDH1A1 (0.47) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL993439 1.00 ALDH1A1 (0.47) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL12226100 0.88 MMP8 (0.43) ALDH1A1KMT2AKCNN4MEN1POLB
SCHEMBL6740472 0.86 ITGA4 (0.43) ALDH1A1CYP2C19KMT2AATMMEN1
SCHEMBL6740469 0.86 ITGA4 (0.43) ALDH1A1CYP2C19KMT2AATMMEN1
SCHEMBL10795600 0.86 MDM4 (0.43) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL7890015 0.84 ELANE (0.46) NOS3NOS1NOS2CA12CA2
SCHEMBL7890011 0.84 ELANE (0.46) NOS3NOS1NOS2CA12CA2
SCHEMBL29045223 0.84 KMT2A (0.43) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL5799829 0.84 KMT2A (0.43) ALDH1A1CYP2C9THRBCYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320234-A1 LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2025-10-16 — — US disclosed
CN-119775170-A Preparation method of sabatier starter intermediate 浙江工业大学 2025-04-08 — — CN disclosed
CN-118834175-A Benzothiazacycloalkanes Heptatriene compounds use thereof as bile acid modulators 阿尔比里奥公司 2024-10-25 — — CN disclosed
EP-4444728-A1 LONP1 INHIBITOR COMPOUNDS, USES AND METHODS Pretzel Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
CN-113453753-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 — — CN disclosed
CN-109928971-B Aryl substituted aminotetrahydropyrans and uses thereof 广东东阳光药业股份有限公司 2024-01-16 — — CN disclosed
CN-112996566-B Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-11-03 — — CN disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 — — US disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 — — US disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 — — US disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 — — EP disclosed
US-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2013-11-28 — — US disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 — — WO disclosed
EP-2415754-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 — — EP disclosed
EP-2415753-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 — — EP disclosed
US-8030315-B2 DPP-IV inhibitor including beta-amino group, preparation method thereof and pharmaceutical composition containing the same for preventing and treating diabetes or obesity DONG-A PHARM. CO., LTD. (KR) 2011-10-04 — — US disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 — — US disclosed
WO-2010114291-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE 동아제약 주식회사 (KR) 2010-10-07 — — WO disclosed
WO-2010114292-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE 동아제약 주식회사 (KR) 2010-10-07 — — WO disclosed
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DONG-A PHARM. CO., LTD (KR) 2010-05-13 — — 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-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 ALDH1A1 706/4885CYP2C9 222/4885THRB 1341/4885
US-20250320234-A1 LONP1 INHIBITOR COMPOUNDS, USES AND METHODS LONP1, NLN, ACAT1 ALDH1A1 1527/4885CYP2C9 3912/4885THRB 4536/4885
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 ALDH1A1 253/4885CYP2C9 1559/4885THRB 2680/4885
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DPP4, DPP7, DPP3 ALDH1A1 548/4885CYP2C9 395/4885THRB 2357/4885
US-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 3574/4885CYP2C9 1900/4885THRB 972/4885

“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.