SCHEMBL23722980

SCHEMBL23722980

CC(C)(C)OC(=O)NC(Cc1cccc(F)c1F)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.60
CTSK P43235 6/20 0.60
PTPN1 P18031 1/20 0.58
ACE P12821 2/20 0.52
SCN9A Q15858 3/20 0.51
CYP3A4 P08684 1/20 0.51
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PPARD Q03181 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL29401585 0.90 CTSS (0.73) CTSSCTSKPTPN1ACESCN9A
SCHEMBL1270141 0.90 CTSS (0.73) CTSSCTSKPTPN1ACESCN9A
SCHEMBL270318 0.90 CTSS (0.73) CTSSCTSKPTPN1ACESCN9A
SCHEMBL270319 0.90 CTSS (0.73) CTSSCTSKPTPN1ACESCN9A
SCHEMBL29907906 0.90 CTSS (0.73) CTSSCTSKPTPN1ACESCN9A
SCHEMBL27138772 0.89 CTSS (0.54) CTSSCTSKPTPN1ACESCN9A
SCHEMBL31494606 0.89 CTSS (0.54) CTSSCTSKPTPN1ACESCN9A
SCHEMBL27149947 0.89 CTSS (0.54) CTSSCTSKPTPN1ACESCN9A
SCHEMBL5041377 0.89 CTSS (0.53) CTSSCTSKPTPN1ACESCN9A
SCHEMBL7094300 0.89 CTSS (0.53) CTSSCTSKPTPN1ACESCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 US disclosed
CN-117623973-A Resolution method of N-acetyl-4-trifluoromethyl phenylalanine and application thereof 瑞博(杭州)医药科技有限公司 2024-03-01 CN disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 US disclosed
EP-4126888-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV Healthcare Company (US) 2023-02-08 EP disclosed
WO-2021194828-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2021-09-30 WO disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 US disclosed
CN-1623980-A Method for preparing optical pure N-tertiary butyl oxycarbonyl-beta-difluorine phenylalanine YAOMINGKANGDE NEW PHARMACEUTIC (CN) 2005-06-08 CN 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 (4 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 CTSS 138/4885CTSK 149/4885PTPN1 2222/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 CTSS 138/4885CTSK 149/4885PTPN1 2222/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 CTSS 138/4885CTSK 149/4885PTPN1 2222/4885
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 CTSS 138/4885CTSK 149/4885PTPN1 2222/4885

“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.