SCHEMBL893784

SCHEMBL893784

O=C(NC(Cc1ccccc1)C(O)CCCc1ccccc1)OCc1cncs1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.57
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL19286627 1.00 CYP3A4 (0.57) CYP3A4TDP1
SCHEMBL9943656 0.85 CYP3A4 (0.67) CYP3A4
SCHEMBL2954848 0.85 CYP3A4 (0.62) CYP3A4
SCHEMBL893198 0.85 CYP3A4 (0.55) CYP3A4TDP1
SCHEMBL893460 0.85 CYP3A4 (0.62) CYP3A4
SCHEMBL893383 0.85 CYP3A4 (0.55) CYP3A4TDP1
Hydrochloric Acid SCHEMBL7389969 0.84 CYP3A4 (0.55) CYP3A4TDP1
SCHEMBL16281945 0.84 CYP3A4 (0.59) CYP3A4
SCHEMBL4246832 0.84 CYP3A4 (0.56) CYP3A4TDP1
Hydrochloric Acid SCHEMBL31236647 0.84 CYP3A4 (0.55) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116687923-A Application of ritonavir or derivative thereof in preparation of medicines for treating mental disorder 苏州志恒生物科技有限公司 2023-09-05 CN disclosed
EP-3803402-B1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AG (DE) 2023-04-26 EP disclosed
EP-3578981-B1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AG (DE) 2021-10-27 EP disclosed
EP-3245514-B1 MACROMOLECULAR CONJUGATES FOR VISUALIZATION AND SEPARATION OF PROTEINS AND CELLS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-07-10 EP disclosed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
EP-1418174-A2 Amorphous Ritonavir ABBOTT LABORATORIES (US) 2004-05-12 EP disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 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 (5 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885TDP1 610/4885
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 CYP3A4 1/4885TDP1 463/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885TDP1 610/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885TDP1 610/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885TDP1 610/4885

“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.