SCHEMBL3138965

SCHEMBL3138965

Cc1sc(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
GSTO1 P78417 1/20 0.46
XIAP P98170 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9107659 0.88 MAPT (0.52) POLBCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL9101715 0.82 ADORA3 (0.55) POLBCYP1A2CYP2C19CYP3A4HSD17B10
SCHEMBL9105214 0.82 ADORA3 (0.55) POLBCYP1A2CYP2C19CYP3A4HSD17B10
SCHEMBL11997389 0.77 POLB (0.59) POLBCYP1A2CYP2C19CYP3A4APOBEC3A
SCHEMBL3008258 0.74 POLB (0.55) POLBCYP1A2CYP2C19CYP3A4APOBEC3A
SCHEMBL18591182 0.74 POLB (0.58) POLBCYP1A2CYP2C19CYP3A4APOBEC3A
SCHEMBL7728020 0.74 MEN1 (0.62) POLBCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL18578574 0.74 POLB (0.58) POLBCYP1A2CYP2C19CYP3A4APOBEC3A
SCHEMBL18578575 0.74 POLB (0.58) POLBCYP1A2CYP2C19CYP3A4APOBEC3A
SCHEMBL7728781 0.74 MEN1 (0.62) POLBCYP1A2CYP2C19CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US claimed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP claimed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 POLB 1018/4885CYP1A2 2854/4885CYP2C19 3192/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 POLB 1018/4885CYP1A2 2854/4885CYP2C19 3192/4885

“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.