SCHEMBL10175868

SCHEMBL10175868

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 1/20 0.58
CTSK P43235 3/20 0.56
CTSS P25774 2/20 0.56
CA12 O43570 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
PREP P48147 1/20 0.43
TRPA1 O75762 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KLK5 Q9Y337 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL19089931 1.00 PSENEN (0.58) PSENENCTSKCTSSCA12CA14
SCHEMBL16667761 1.00 PSENEN (0.58) PSENENCTSKCTSSCA12CA14
SCHEMBL23332548 0.92 CTSK (0.57) PSENENCTSKCTSSCA2CA1
SCHEMBL30065360 0.92 CTSK (0.57) PSENENCTSKCTSSCA2CA1
SCHEMBL2548149 0.89 PSENEN (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL7104010 0.89 PSENEN (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL17137934 0.89 PSENEN (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL18562066 0.85 CTSK (0.61) PSENENCTSKCTSSCA2CA1
SCHEMBL17596020 0.85 CTSK (0.61) PSENENCTSKCTSSCA2CA1
SCHEMBL25015110 0.85 CTSK (0.61) PSENENCTSKCTSSCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
WO-2021013693-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
WO-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 WO disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 US disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
EP-2859009-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 US disclosed
WO-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 WO disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 US disclosed
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150274774-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-10-01 US disclosed
US-9145441-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-09-29 US disclosed
US-9090653-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2014-01-30 US disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 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 (9 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-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 PSENEN 4773/4885CTSK 3357/4885CTSS 2126/4885
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885
US-20150274774-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA PSENEN 1458/4885CTSK 3432/4885CTSS 3364/4885
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA PSENEN 1458/4885CTSK 3432/4885CTSS 3364/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 PSENEN 4773/4885CTSK 3357/4885CTSS 2126/4885

“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.