SCHEMBL825025

SCHEMBL825025

COO/C=N/[C@@H](Cc1c[nH]nn1)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.39
ALDH1A1 P00352 6/20 0.35
CTSB P07858 2/20 0.35
ATM Q13315 1/20 0.34
LTA4H P09960 2/20 0.33
LAP3 P28838 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
S1PR1 P21453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL755889 0.80 CYP19A1 (0.47) ALDH1A1
SCHEMBL15423917 0.77 ALDH1A1 (0.44) ALDH1A1CTSBATMMAPTHPGD
SCHEMBL15425042 0.73 TACR1 (0.48) ALDH1A1CTSBATMMAPTS1PR1
SCHEMBL4691605 0.69 ALDH1A1 (0.60) ALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL13259431 0.68 TACR1 (0.52) CTSBMAPTMAPK1
SCHEMBL10132648 0.66 MAPT (0.39) ALDH1A1ATMMAPTS1PR1MAPK1
SCHEMBL25013937 0.66 SMN1; SMN2 (0.51) ATM
SCHEMBL29032094 0.65 MIF (0.67) MIFALDH1A1CTSBHCAR2MAPK1
SCHEMBL24049972 0.63 ALDH1A1 (0.52) MIFALDH1A1CTSBLTA4HLAP3
SCHEMBL11165126 0.63 TDP1 (0.54) ALDH1A1MAPTHPGDMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143301-B2 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 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-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MIF 2353/4885ALDH1A1 1144/4885CTSB 720/4885

“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.