SCHEMBL4423620

SCHEMBL4423620

O=C(C(F)(F)Oc1cccc(F)c1F)C(F)(F)Oc1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
BCHE P06276 1/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.34
GRM2 Q14416 2/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A4 P14672 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CXCL8 P10145 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NOTUM Q6P988 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL6785054 0.84 CES2 (0.39) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL7313573 0.83 CES2 (0.41) CES2CES1BCHENOTUM
SCHEMBL1401600 0.78 MPL (0.46) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL10181532 0.74 CES2 (0.42) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL23519089 0.73 CXCL8 (0.46) CES2CES1KMT2AHPGDPARP10
SCHEMBL13019837 0.72 SLC6A2 (0.43) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL7167368 0.72 GRM2 (0.41) CES1KMT2AGRM2
SCHEMBL17941345 0.72 PARP10 (0.41) CES2CES1KMT2AHPGDPARP10
SCHEMBL5169953 0.72 NOTUM (0.46) CES2CES1BCHEKMT2ANOTUM
SCHEMBL10180796 0.71 CES2 (0.40) CES2CES1BCHESLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 US disclosed
CN-107406872-B Compounds, compositions and uses for marking animal tissue 里兰斯坦福初级大学理事会 2023-03-28 CN disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
EP-3898843-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE Takeda Pharmaceutical Company Limited (JP) 2021-10-27 EP disclosed
CN-113195641-A Sulfoxonium ylide derivatives as probes for cysteine proteases 武田药品工业株式会社 2021-07-30 CN disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 US disclosed
WO-2020130152-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-25 WO disclosed
EP-3612526-A2 K-RAS MODULATORS The Regents of the University of California (US) 2020-02-26 EP disclosed
CN-110785414-A K-Ras modulators 加利福尼亚大学董事会 2020-02-11 CN disclosed
CN-110678460-A Protease activated contrast agents for in vivo imaging 里兰斯坦福初级大学理事会 2020-01-10 CN disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 US disclosed
CN-1313846-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases IDUN PHARMACEUTICALS INC (US) 2001-09-19 CN disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US disclosed
EP-1091930-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 US disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed
WO-2000001666-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-01-13 WO 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS CES2 4795/4885CES1 2449/4885BCHE 4639/4885
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CES2 516/4885CES1 394/4885BCHE 915/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS CES2 4807/4885CES1 3027/4885BCHE 4582/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 CES2 894/4885CES1 1100/4885BCHE 619/4885
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE CTSZ, CTSF, CTSL CES2 148/4885CES1 110/4885BCHE 421/4885

“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.