SCHEMBL6409351

SCHEMBL6409351

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.47
CTSS P25774 6/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KLK5 Q9Y337 1/20 0.43
FOLH1 Q04609 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL2398972 1.00 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2306568 1.00 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL863894 0.92 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL863895 0.92 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL3773280 0.92 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL10606035 0.90 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL9690449 0.90 ACE (0.48) CTSKCTSSKLK5FOLH1PPARG
SCHEMBL5129671 0.88 CTSK (0.47) CTSKCTSSITGB3ITGA2B
SCHEMBL17446712 0.88 CTSL (0.56) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL2301394 0.88 CYP1A2 (0.60) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 CN disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2024044552-A1 VHH ANTIBODY DOTA CONJUGATES Abdera Therapeutics Inc. (US) 2024-02-29 WO disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
WO-2022263679-A1 PEPTIDE DRUG CONJUGATES ONCOPEPTIDES AB (SE) 2022-12-22 WO disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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 (6 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 CTSK 2969/4885CTSS 3510/4885CYP1A2 4081/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 CTSK 2996/4885CTSS 2999/4885CYP1A2 862/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 CTSK 2511/4885CTSS 3101/4885CYP1A2 2422/4885
US-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 CTSK 1703/4885CTSS 2003/4885CYP1A2 151/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CTSK 2511/4885CTSS 3101/4885CYP1A2 2422/4885
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 CTSK 2385/4885CTSS 2095/4885CYP1A2 1689/4885

“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.