SCHEMBL2998593

SCHEMBL2998593

CCOC(=O)c1cc(Br)c(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.43
LCK P06239 5/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL28786532 0.84 SMN1; SMN2 (0.40) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2982741 0.82 PTPN2 (0.40) PTPN2LCKMEN1MAPTKMT2A
SCHEMBL21930986 0.81 ALDH1A1 (0.47) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL400755 0.80 LCK (0.46) LCKMEN1KMT2ANPC1HTT
SCHEMBL28786570 0.80 USP10 (0.51) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22774379 0.79 CA1 (0.44) LCKMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15302205 0.77 CA1 (0.43) LCKMEN1KMT2ANPC1HTT
SCHEMBL2829793 0.77 ALDH1A1 (0.56) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3498934 0.76 ALDH1A1 (0.50) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12080070 0.76 TSHR (0.40) LCKMEN1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN disclosed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 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 (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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT PTPN2 375/4885LCK 2684/4885MEN1 3956/4885

“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.