Sugi Predict

Sugi Predict / Compounds / SCHEMBL653596

SCHEMBL653596

SCHEMBL653596

C[C@@H](NCC(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.62
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CYP3A4 P08684 2/20 0.53
▸ CASR P41180 2/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ SMPD1 P17405 1/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ TBXA2R P21731 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53

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
SCHEMBL524374 1.00 APAF1 (0.62) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL157741 1.00 APAF1 (0.62) APAF1MEN1KMT2ACYP3A4CASR
Glycine SCHEMBL27727845 0.93 APAF1 (0.56) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL24433342 0.86 APAF1 (0.61) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL1049426 0.85 APAF1 (0.46) APAF1MEN1KMT2A
SCHEMBL1881712 0.85 APAF1 (0.59) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL1881711 0.85 APAF1 (0.59) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL6809830 0.83 APAF1 (0.57) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL2408159 0.83 APAF1 (0.57) APAF1MEN1KMT2ACYP3A4CASR
SCHEMBL2408156 0.83 APAF1 (0.57) APAF1MEN1KMT2ACYP3A4CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808007-B Preparation method of chiral 3-substituted pyrrolidine derivative 青岛贞开生物医药技术有限公司 2023-04-21 — — CN claimed
EP-3328877-B1 PEPTOID THE UNIV OF DURHAM (GB) 2022-08-24 — — EP claimed
US-10676509-B2 Surface-immobilized antimicrobial peptoids NORTHWESTERN UNIVERSITY (US) 2020-06-09 — — US claimed
US-20180201647-A1 Peptoid THE UNIVERSITY OF DURHAM (GB) 2018-07-19 — — US claimed
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 — — US disclosed
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 — — US disclosed
CN-111808007-B Preparation method of chiral 3-substituted pyrrolidine derivative 青岛贞开生物医药技术有限公司 2023-04-21 — — CN disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 — — EP disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 — — US disclosed
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 — — EP disclosed
EP-3328877-B1 PEPTOID THE UNIV OF DURHAM (GB) 2022-08-24 — — EP disclosed
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2021-10-26 — — US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 — — US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 — — US disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 — — EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 — — US disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 — — WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 — — EP disclosed
US-6051591-A Diazabicyclooctane derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-18 — — US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 — — 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 (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-20180201647-A1 Peptoid ARG1, ARGLU1, QPCT APAF1 4395/4885MEN1 988/4885KMT2A 1117/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 APAF1 2987/4885MEN1 4390/4885KMT2A 2198/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 APAF1 4739/4885MEN1 428/4885KMT2A 3815/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 APAF1 4739/4885MEN1 428/4885KMT2A 3815/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 APAF1 2987/4885MEN1 4390/4885KMT2A 2198/4885
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity KCNQ2, KCNQ1, KCNH3 APAF1 3527/4885MEN1 3144/4885KMT2A 2220/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 APAF1 2987/4885MEN1 4390/4885KMT2A 2198/4885

“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.