SCHEMBL5493786

SCHEMBL5493786

Cn1ncc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.42
GABRA5 P31644 1/20 0.39
RORC P51449 1/20 0.39
POLB P06746 1/20 0.38
NAMPT P43490 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
POLR1A O95602 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL5500964 0.93 USP30 (0.51) USP30POLBCA12CA1CA2
SCHEMBL5500866 0.87 PARP1 (0.41) USP30RORCNAMPT
SCHEMBL27620833 0.85 HDAC3 (0.41) USP30RORCNAMPTPDE10A
SCHEMBL5495007 0.83 TRPV1 (0.40) USP30TRPV1
SCHEMBL5493363 0.83 MAPT (0.44) POLBNAMPT
SCHEMBL5499882 0.82 PTPN2 (0.50) USP30POLB
SCHEMBL5493346 0.81 HDAC1 (0.35) TRPV1
SCHEMBL27620821 0.80 HDAC3 (0.49) USP30NAMPTCA1CA2PDE10A
SCHEMBL6430075 0.80 HDAC3 (0.49) USP30NAMPTCA1CA2PDE10A
Pivalate SCHEMBL27620820 0.80 TRPV1 (0.39) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP 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
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (2 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 USP30 1340/4885GABRA5 3876/4885RORC 3541/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 USP30 1627/4885GABRA5 4112/4885RORC 3473/4885

“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.