Sugi Predict

Sugi Predict / Compounds / SCHEMBL2927725

SCHEMBL2927725

SCHEMBL2927725

NC(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ GRM8 O00222 1/20 0.50
▸ GRM6 O15303 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ GRM4 Q14833 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ GRM1 Q13255 3/20 0.47
▸ GRM2 Q14416 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ TDO2 P48775 1/20 0.47

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
SCHEMBL30559593 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL30559596 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL3618233 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL4212448 0.98 IDO1 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
Methane SCHEMBL10697752 0.98 HSD17B10 (0.49) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL21194008 0.86 L3MBTL1 (0.49) HPGDPARP1
SCHEMBL3649122 0.85 PARP1 (0.50) ALDH1A1HPGDIDO1TDO2PARP1
SCHEMBL11218425 0.83 PARP1 (0.44) ALDH1A1IDO1TDO2PARP1CTSA
SCHEMBL20930558 0.82 CYP2D6 (0.60) CYP2D6ALDH1A1IDO1TDO2PARP1
SCHEMBL30057779 0.81 MMP1 (0.48) HSD17B10TDP1MEN1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 — — CN disclosed
US-20240052394-A1 BIOPRODUCTION OF ENANTIOPURE (R)- AND (S)-2-PHENYLGLYCINOL FROM STYRENE AND RENEWABLE FEEDSTOCKS VIA ARTIFICIAL ENZYME CASCADE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-02-15 — — US disclosed
CN-116829726-A Biological production of enantiomerically pure (R) -and (S) -2-phenylglycinol from styrene and renewable raw materials by artificial enzyme cascade 新加坡国立大学 2023-09-29 — — CN disclosed
WO-2022124986-A1 BIOPRODUCTION OF ENANTIOPURE ( R)- AND (S)-2-PHENYLGLYCINOL FROM STYRENE AND RENEWABLE FEEDSTOCKS VIA ARTIFICIAL ENZYME CASCADE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-06-16 — — WO disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 — — US disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 — — WO disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 — — US disclosed
WO-2018005801-A2 NOVEL NON-SYSTEMIC TGR5 AGONISTS VENENUM BIODESIGN LLC (US) 2018-01-04 — — WO disclosed
US-20170172957-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. 2017-06-22 — — US disclosed
EP-2714029-B1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN INC (US) 2017-04-12 — — EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 — — US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 — — WO disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 — — US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 — — US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 — — US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 — — US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 — — US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 — — US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 — — 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 (3 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 HSD17B10 1270/4885TDP1 3624/4885MEN1 4237/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 HSD17B10 1256/4885TDP1 3444/4885MEN1 4016/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 HSD17B10 2273/4885TDP1 1476/4885MEN1 2915/4885

“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.