SCHEMBL4288255

SCHEMBL4288255

C=CCOC(=O)c1cccnc1SCC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 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
SCHEMBL11337662 0.85 L3MBTL1 (0.46) ALDH1A1TSHRHSD17B10L3MBTL1CASP3
SCHEMBL4131695 0.81 L3MBTL1 (0.64) ALDH1A1TSHRHSD17B10L3MBTL1CASP3
SCHEMBL9185211 0.74 CYP3A4 (0.65) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL2358122 0.74 CYP3A4 (0.65) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL8423197 0.73 CYP3A4 (0.63) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL2358545 0.73 CYP3A4 (0.63) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL2363794 0.73 ALDH1A1 (0.63) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL9471700 0.73 CYP3A4 (0.63) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL9693524 0.73 CYP3A4 (0.63) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL9693536 0.72 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM CYP3A4 2751/4885ALDH1A1 2329/4885TSHR 876/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM CYP3A4 2751/4885ALDH1A1 2329/4885TSHR 876/4885

“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.