SCHEMBL3360413

SCHEMBL3360413

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.63
PSMB8 P28062 1/20 0.52
NAMPT P43490 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 1/20 0.51
MAP4K4 O95819 1/20 0.51
P2RY14 Q15391 1/20 0.49
BCL2 P10415 4/20 0.47
BECN1 Q14457 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 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
SCHEMBL243401 0.95 CYP17A1 (0.56) CYP17A1PSMB8NAMPTCD274EPHX2
SCHEMBL20865536 0.90 CYP17A1 (0.68) CYP17A1PSMB8NAMPTCD274MAP4K4
SCHEMBL22461618 0.89 NAMPT (0.65) CYP17A1NAMPTCD274EPHX2NR1H4
SCHEMBL22461360 0.89 NAMPT (0.65) CYP17A1NAMPTCD274EPHX2NR1H4
Aminobenzoic Acid SCHEMBL6627812 0.88 CYP17A1 (0.50) CYP17A1PSMB8NAMPTEPHX2NR1H4
SCHEMBL18570243 0.87 CYP17A1 (0.61) CYP17A1PSMB8NAMPTCD274MAPT
SCHEMBL14274234 0.86 CYP17A1 (0.59) CYP17A1PSMB8NAMPTCD274BCL2
SCHEMBL3020158 0.86 PTPN11 (0.59) CYP17A1PSMB8NAMPTCD274EPHX2
Toluene SCHEMBL27667509 0.86 NAMPT (0.52) CYP17A1NAMPTEPHX2NR1H4MAPT
SCHEMBL5544961 0.86 CYP17A1 (0.61) CYP17A1PSMB8NAMPTCD274MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665373-A2 SELECT THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS Oncology, LLC (US) 2025-12-24 EP disclosed
US-20250381278-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER UNIV WAKE FOREST HEALTH SCIENCES (US) 2025-12-18 US disclosed
US-20250144078-A1 THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF SYMERES NETHERLANDS B.V. (NL) 2025-05-08 US disclosed
CN-119301105-A Thiostrepton-based compounds for the treatment of cancer and preparation thereof RS肿瘤学有限责任公司 2025-01-10 CN disclosed
US-20250011316-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES 2025-01-09 US disclosed
EP-4479390-A2 THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS Oncology, LLC (US) 2024-12-25 EP disclosed
WO-2024173644-A2 SELECT THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2024-08-22 WO disclosed
WO-2023158679-A2 THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2023-08-24 WO disclosed
WO-2023158679-A2 THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2023-08-24 WO disclosed
US-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
WO-2004003561-A9 PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME UNIV NORTHWESTERN (US) 2004-08-12 WO disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
WO-2004003561-A1 PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME NORTHWESTERN UNIVERSITY (US) 2004-01-08 WO disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 CYP17A1 946/4885PSMB8 2339/4885NAMPT 4703/4885
US-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR CYP17A1 4511/4885PSMB8 3484/4885NAMPT 1635/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 CYP17A1 1539/4885PSMB8 2976/4885NAMPT 4480/4885
US-20250011316-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX2, PRDX6 CYP17A1 609/4885PSMB8 2351/4885NAMPT 580/4885
US-20250144078-A1 THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF TYMS, TOP1, TOP2A CYP17A1 3920/4885PSMB8 4353/4885NAMPT 397/4885
US-20250381278-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX2, PRDX6 CYP17A1 499/4885PSMB8 2450/4885NAMPT 538/4885

“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.