SCHEMBL5499882

SCHEMBL5499882

Cn1ncc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
STS P08842 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
PARP1 P09874 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
USP30 Q70CQ3 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5500866 0.91 PARP1 (0.41) PTPN2PTPN1PTPN6STSABL1
SCHEMBL5493363 0.87 MAPT (0.44) NPC1KDM4EPKMGPR119LMNA
SCHEMBL5500964 0.85 USP30 (0.51) PARP1LMNAPOLBUSP30THRB
SCHEMBL5500438 0.81 KMT2A (0.33) KDM4EKMT2AMEN1TP53
SCHEMBL27620821 0.79 HDAC3 (0.49) PARP1KMT2AUSP30
Pivalate SCHEMBL27620840 0.79 SSTR4 (0.37) PARP1PARP2
SCHEMBL6425495 0.77 ALDH1A1 (0.36) NPC1RAB9AKDM4ETP53
SCHEMBL6427673 0.77 ALDH1A1 (0.36) NPC1RAB9AKDM4ETP53
SCHEMBL27620833 0.77 HDAC3 (0.41) PARP1KMT2AUSP30
SCHEMBL3119092 0.76 LPAR1 (0.38) NPC1RAB9AKDM4EKMT2AMEN1

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 8 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
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
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 PTPN2 3727/4885PTPN1 3848/4885PTPN6 3765/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 PTPN2 3595/4885PTPN1 3277/4885PTPN6 3298/4885

“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.