SCHEMBL5322815

SCHEMBL5322815

NC(Cc1ccc2sccc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
SLC7A5 Q01650 4/20 0.54
PTGS1 P23219 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
EGFR P00533 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.49
ALPI P09923 1/20 0.49
XIAP P98170 1/20 0.49
GRIA2 P42262 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
SCHEMBL31370182 1.00 CYP2A6 (0.54) CYP2A6SLC7A5PTGS1KDM4EUSP2
SCHEMBL5580227 0.88 SLC7A5 (0.54) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL5322023 0.85 CYP2A6 (0.51) CYP2A6SLC7A5PTGS1KDM4EUSP2
SCHEMBL14780593 0.78 SLC7A5 (0.53) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL631209 0.76 CYP2A6 (0.58) CYP2A6PTGS1KDM4EHIF1AHSD17B10
SCHEMBL22255810 0.75 CYP2A6 (0.47) CYP2A6SLC7A5HTR2APKMCTNNB1
SCHEMBL93304 0.74 SLC7A5 (0.65) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL3816398 0.74 CYP2A6 (0.56) CYP2A6HTR2ACTNNB1WNT3A
SCHEMBL29554654 0.74 SLC7A5 (0.65) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL29401985 0.74 SLC7A5 (0.65) SLC7A5PTGS1KDM4EUSP2EGFR

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 CYP2A6 4798/4885SLC7A5 3712/4885PTGS1 1844/4885

“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.