SCHEMBL19701644

SCHEMBL19701644

CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)nn1)C(=O)OB=N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.43
CDC25B P30305 6/20 0.43
PTPN2 P17706 3/20 0.43
CDC25A P30304 2/20 0.43
ACE P12821 2/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
AKT1 P31749 1/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
MME P08473 1/20 0.42
KLK5 Q9Y337 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL19701642 0.91 CYP19A1 (0.43) MMEALDH1A1LMNAHDAC1
SCHEMBL10132030 0.88 PTPN1 (0.49) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL756405 0.88 PTPN1 (0.49) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL18183914 0.88 PTPN1 (0.49) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL3331695 0.87 ACE (0.56) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL304588 0.87 ACE (0.56) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL19697731 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHDAC1
SCHEMBL18681590 0.80 CYP19A1 (0.44) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL13046915 0.79 PTPN1 (0.50) PTPN1CDC25BPTPN2CDC25ACTSS
SCHEMBL3784417 0.79 PPARA (0.52) PTPN1CDC25BPTPN2CDC25AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (1 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL PTPN1 1848/4885CDC25B 1024/4885PTPN2 1745/4885

“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.