SCHEMBL5200883

SCHEMBL5200883

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
SCHEMBL764093 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276097-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2023-11-15 EP disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 US disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 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
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
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
EP-1389200-A4 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO INC (US) 2007-03-28 EP disclosed
US-6943180-B2 Substituted N-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-09-13 US disclosed
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2004-05-27 US disclosed
EP-1389200-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2004-02-18 EP disclosed
WO-2002074761-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2002-09-26 WO disclosed
US-5552405-A TREATMENT OF AIDS, ACTIVITY AGAINST RETROVIRUSES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) 1996-09-03 US disclosed
EP-0560269-B1 Substituted pyrrolidine derivatives as HIV protease inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-05-31 EP disclosed
EP-0560269-A1 Substituted pyrrolidine derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 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 (2 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-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLB, POLH ATM 368/4885CYP1A2 923/4885POLB 2/4885
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors VCAM1, CD4, ICAM1 ATM 2476/4885CYP1A2 2488/4885POLB 3457/4885

“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.