SCHEMBL22208015

SCHEMBL22208015

CCNC(=O)NC(=O)C(C)Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
S1PR4 O95977 2/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL25067818 0.82 SMN1; SMN2 (0.45) ATMLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL13282805 0.81
SCHEMBL13282806 0.81
SCHEMBL6991664 0.81
SCHEMBL13285189 0.75 DPP8 (0.46) ATMLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL23012687 0.75 ATM (0.50) ATMLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9616431 0.74 SMN1; SMN2 (0.40) ATMLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL417121 0.71 SMN1; SMN2 (0.40) ATMLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL10100337 0.71 SMN1; SMN2 (0.38) ATMLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL9459164 0.70 ATM (0.38) ATMLMNAHTTALDH1A1

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
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 ATM 728/4885LMNA 4621/4885HTT 1441/4885

“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.