SCHEMBL3107462

SCHEMBL3107462

O=C(O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2369616 0.83 F2 (0.40) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2369612 0.83 F2 (0.40) F2PRSS1PRSS2PRSS3CA1
SCHEMBL446590 0.74 F2 (0.44) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9965535 0.73 F2 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14165295 0.73 F2 (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL4840952 0.68 CA1 (0.35) CA1CA2
SCHEMBL6491985 0.65 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL21661932 0.64 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL183325 0.64 F2 (1.00) F2PRSS1PRSS2PRSS3CA1
SCHEMBL22490111 0.64 F2 (0.50) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434753-B2 Modified creatine compounds GENCIA CORPORATION (US) 2016-09-06 US disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
US-20150005258-A1 Modified Creatine Compounds Genci Corporation (US) 2015-01-01 US disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
EP-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 F2 707/4885PRSS1 3381/4885PRSS2 3776/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 F2 1386/4885PRSS1 3706/4885PRSS2 3734/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S F2 445/4885PRSS1 3616/4885PRSS2 3830/4885
US-20150005258-A1 Modified Creatine Compounds CKMT1A; CKMT1B, SLC25A20, ARG2 F2 2678/4885PRSS1 1719/4885PRSS2 2131/4885
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 F2 1431/4885PRSS1 3312/4885PRSS2 3076/4885

“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.