SCHEMBL31723949

SCHEMBL31723949

O=C(O)[C@H](Cc1ccccc1)N(I)I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CPA1 P15085 4/20 0.48
CPA3 P15088 3/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
SRR Q9GZT4 2/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8370903 0.86 CYP1A2 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL8370904 0.86 CYP1A2 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL9437347 0.85 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL169321 0.85 SLC7A5 (0.55) SLC7A5FOLH1
SCHEMBL21461886 0.85 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL25196840 0.85 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL169322 0.85 SLC7A5 (0.55) SLC7A5FOLH1
SCHEMBL21461885 0.85 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
Methane SCHEMBL17267562 0.83 SLC7A5 (0.53) SLC7A5FOLH1
SCHEMBL2896842 0.82 CYP1A2 (0.48) CYP1A2ALPIPKMPTGS1XIAP

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-20250345488-A1 CROSSLINKED HYDROGELS WITH ENHANCED RADIOPACITY FOR MEDICAL APPLICATIONS BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-11-13 US claimed
US-20260103570-A1 ANTIMICROBIAL AND/OR ANTIADHESIVE CROSSLINKING AGENTS AND ANTIMICROBIAL AND/OR ANTIADHESIVE MEDICAL HYDROGELS FORMED THEREFROM BOSTON SCIENTIFIC SCIMED, INC. (US) 2026-04-16 US disclosed
US-20250345488-A1 CROSSLINKED HYDROGELS WITH ENHANCED RADIOPACITY FOR MEDICAL APPLICATIONS BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-11-13 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-20260103570-A1 ANTIMICROBIAL AND/OR ANTIADHESIVE CROSSLINKING AGENTS AND ANTIMICROBIAL AND/OR ANTIADHESIVE MEDICAL HYDROGELS FORMED THEREFROM ITGAM, CD44, KIT CYP1A2 4160/4885ALPI 2923/4885PKM 21/4885

“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.