SCHEMBL16375313

SCHEMBL16375313

CS(=O)(=O)OCc1ccc([N+](=O)[O-])n1CC(=O)NCC(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.34
▸ ERBB2 P04626 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 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
SCHEMBL15607902 0.92 EGFR (0.35) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL15607901 0.91 EGFR (0.35) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL16375315 0.88 EGFR (0.41) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL16374963 0.82 MEN1 (0.36) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL16375306 0.82 EGFR (0.41) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL16375314 0.80 EGFR (0.42) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL16375324 0.77 CA12 (0.34) —
SCHEMBL16375032 0.75 F2 (0.33) MEN1KMT2AMAPT
SCHEMBL16375312 0.74 ERO1A (0.34) MEN1KMT2AMAPT
SCHEMBL16375031 0.74 KMT2A (0.37) KMT2A

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 — — 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB EGFR 1866/4885ERBB2 1218/4885MEN1 2288/4885

“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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