SCHEMBL21116595

SCHEMBL21116595

Cc1cnc(CNC(=O)CC(O)CCNC(=O)COc2ccc(Cl)c(F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 14/20 0.45
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL21116979 0.90 ATF4 (0.43) ATF4ALDH1A1THRB
SCHEMBL24116628 0.87 ALDH1A1 (0.45) ATF4ALDH1A1TDP1
SCHEMBL21116401 0.87 ATF4 (0.44) ATF4ALDH1A1
SCHEMBL21116989 0.87 ATF4 (0.44) ATF4ALDH1A1
SCHEMBL24116908 0.85 ATF4 (0.43) ATF4ALDH1A1TP53LMNATHRB
SCHEMBL24116643 0.85 ALDH1A1 (0.45) ATF4ALDH1A1TDP1TP53LMNA
SCHEMBL21116587 0.84 ATF4 (0.42) ATF4ALDH1A1
SCHEMBL21116408 0.84 ATF4 (0.42) ATF4ALDH1A1
SCHEMBL21116448 0.84 ATF4 (0.42) ATF4ALDH1A1
SCHEMBL24116662 0.84 SMN1; SMN2 (0.52) ATF4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836725-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2020-11-17 US disclosed
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2019-06-27 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 (2 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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885TDP1 2489/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885TDP1 2489/4885

“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.