Sugi Predict

Sugi Predict / Compounds / SCHEMBL289160

SCHEMBL289160

SCHEMBL289160

C[C@@H](NC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 5/20 0.44
▸ SLC6A2 P23975 5/20 0.40
▸ CHRNA1 P02708 4/20 0.40
▸ CHRNG P07510 4/20 0.40
▸ CHRNB1 P11230 4/20 0.40
▸ CHRNB2 P17787 4/20 0.40
▸ CHRNB4 P30926 4/20 0.40
▸ CHRNA3 P32297 4/20 0.40
▸ CHRNA4 P43681 4/20 0.40
▸ CHRND Q07001 4/20 0.40
▸ SLC6A4 P31645 4/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BLM P54132 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
SCHEMBL43590 1.00 SLC6A3 (0.44) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL1716976 1.00 SLC6A3 (0.44) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL43589 1.00 SLC6A3 (0.44) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL29399049 0.97 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8190787 0.97 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8190786 0.97 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL2946675 0.85 SLC6A3 (0.36) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL2946672 0.85 SLC6A3 (0.36) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL24766215 0.84 MME (0.48) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL20677212 0.84 MME (0.48) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
WO-2013004716-A1 PEPTIDE BEADS UNIVERSITÄT BASEL (CH) 2013-01-10 — — WO claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US claimed
CN-112159461-B Synthesis method of cetrorelix 开封明仁药业有限公司 2023-03-10 — — CN disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 — — US disclosed
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 — — EP disclosed
EP-3938051-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2022-01-19 — — EP disclosed
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 — — US disclosed
US-20200399588-A1 WNT COMPOSITIONS AND METHODS OF PROCESS FROM SERUM-FREE CULTURING CONDITIONS ANKASA REGENERATIVE THERAPEUTICS, INC. 2020-12-24 — — US disclosed
WO-2020190742-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2020-09-24 — — WO disclosed
US-10633630-B2 Acceleration of Mycobacterium growth ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2020-04-28 — — US disclosed
EP-0960885-A1 DEPSIPEPTIDES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Nisshin Flour Milling Co., Ltd. (JP) 1999-12-01 — — EP disclosed
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 — — EP disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 — — US disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 — — US disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 — — US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 — — US disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 — — US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 — — EP 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A SLC6A3 2881/4885SLC6A2 2454/4885CHRNA1 722/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD SLC6A3 3446/4885SLC6A2 3426/4885CHRNA1 4838/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 SLC6A3 289/4885SLC6A2 824/4885CHRNA1 1460/4885

“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.