SCHEMBL22872004

SCHEMBL22872004

CCc1cc2nonc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ ENPP2 Q13822 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL24656113 0.77 HTT (0.41) ALDH1A1ALOX15HSD17B10
SCHEMBL14666982 0.77 ENPP2 (0.44) LMNAENPP2ALOX15
SCHEMBL19489957 0.74 DPP4 (0.39) ESR1ESR2
SCHEMBL18967229 0.71 ENPP2 (0.37) ENPP2ALDH1A1ALOX15TSHRMAPK1
SCHEMBL12447340 0.69 GRIN2D (0.39) ALOX15ESR1ESR2
SCHEMBL6817121 0.69 DPP4 (0.46) —
SCHEMBL16029817 0.67 ENPP2 (0.37) ENPP2
SCHEMBL22871836 0.67 ENPP2 (0.33) ENPP2ALDH1A1ALOX15
SCHEMBL22366951 0.67 ENPP2 (0.33) ENPP2
SCHEMBL24984321 0.67 ENPP2 (0.33) ENPP2

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-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 — — 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-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 LMNA 4496/4885ENPP2 50/4885ALDH1A1 1642/4885

“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.

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