Sugi Predict

Sugi Predict / Compounds / SCHEMBL764093

SCHEMBL764093

SCHEMBL764093

CC(C)(C)OC(=O)N1C[C@H](O)CC1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.59
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ NR1H2 P55055 1/20 0.40
▸ HTRA1 Q92743 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MME P08473 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35

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
SCHEMBL5200883 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL242328 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL55610 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL116439 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL55611 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL873280 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL193111 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL312687 1.00 ATM (0.59) ATMCYP1A2POLBCYP3A4CYP2C19
SCHEMBL4275881 0.98 ATM (0.57) ATMCYP1A2POLBCYP3A4CYP2C19
Ammonia Solution, Strong SCHEMBL29062671 0.98 ATM (0.57) ATMCYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 — — US disclosed
EP-4276097-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2023-11-15 — — EP disclosed
WO-2023071895-A1 HYDROXYPROLYL-SERINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州裕泰医药科技有限公司 2023-05-04 — — WO disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — US disclosed
WO-2023071896-A1 HYDROXYPROLYL-SERINE COMPOUND, AND PREPARATION AND APPLICATION THEREOF 苏州裕泰医药科技有限公司 2023-05-04 — — WO disclosed
EP-3313449-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF Nitto Denko Corporation (JP) 2018-05-02 — — EP disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
WO-2016210190-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORPORATION (JP) 2016-12-29 — — WO disclosed
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 — — EP disclosed
EP-1863833-B1 PROCESS FOR PREPARING MACROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-09-18 — — EP disclosed
EP-0541168-B1 HIV protease inhibitors useful for the treatment of aids MERCK & CO INC (US) 1998-03-11 — — EP disclosed
US-5717097-A N-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-(HYDROXY) -5-SUBSTITUTED-N'-(T-BUTYLCARBAMOYL)PIPERAZINYL))PENTANEAMIDE COMPOUNDS MERCK & CO., INC. (US) 1998-02-10 — — US disclosed
US-5668132-A HIV Protease inhibitors useful for the treatment of AIDS MERCK & CO., INC. (US) 1997-09-16 — — US disclosed
US-5527799-A ADMINISTERING MIXTURE OF TWO COMPOUNDS AND OPTIONAL AZT MERCK & CO., INC. (US) 1996-06-18 — — US disclosed
EP-0696277-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO. INC. (US) 1996-02-14 — — EP disclosed
US-5413999-A structure is piperazine containing amides MERCK & CO., INC. (US) 1995-05-09 — — US disclosed
WO-1994026717-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-11-24 — — WO disclosed
WO-1994022480-A1 HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-10-13 — — WO disclosed
EP-0617968-A1 HIV protease inhibitors in pharmaceutical combinant for the treatment of AIDS MERCK & CO. INC. (US) 1994-10-05 — — EP disclosed
WO-1993009096-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1993-05-13 — — 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 (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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 ATM 3936/4885CYP1A2 153/4885POLB 3045/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH ATM 3572/4885CYP1A2 259/4885POLB 2831/4885
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ATM 1994/4885CYP1A2 1039/4885POLB 1017/4885

“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.