SCHEMBL4868692

SCHEMBL4868692

O=C(O)c1sc2c(-c3ccccc3)c(-c3ccc4nc(-c5c(F)cccc5F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1CNCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
AVPR1B P47901 3/20 0.34
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
TYMS P04818 1/20 0.33
LTA4H P09960 1/20 0.33
VDR P11473 1/20 0.33
SRC P12931 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MTOR P42345 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
GRIN2B Q13224 2/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAPK14 Q16539 1/20 0.32
MOK Q9UQ07 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4868675 0.90 SMO (0.32) PTGS2AVPR1BMTORBRD4CREBBP
SCHEMBL2995093 0.82 EGFR (0.42) PTGS2HSD17B10EGFRTYMSLTA4H
SCHEMBL4875248 0.80 PTGS2 (0.35) PTGS2EGFRTYMSLTA4HVDR
SCHEMBL4866922 0.76 GRIN2B (0.36) PTGS2HSD17B10EGFRTYMSLTA4H
SCHEMBL4875677 0.75 GRIN2B (0.34) MTORGRIN2B
SCHEMBL3928018 0.75 GRIN2B (0.42) PTGS2HSD17B10EGFRTYMSLTA4H
SCHEMBL4875057 0.74 KCNH2 (0.35) PTGS2EGFRTYMSLTA4HVDR
SCHEMBL2994297 0.72 EGFR (0.42) PTGS2EGFRTYMSLTA4HVDR
SCHEMBL2988708 0.72 EGFR (0.41) PTGS2HSD17B10EGFRTYMSLTA4H
SCHEMBL4870801 0.72 CBX7 (0.39) EGFRTYMSLTA4HVDRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PTGS2 2888/4885AVPR1B 4322/4885HSD17B10 2844/4885

“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.