SCHEMBL21116979

SCHEMBL21116979

Cc1ccc(CNC(=O)CC(O)CCNC(=O)COc2ccc(Cl)c(F)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 12/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL21116595 0.90 ATF4 (0.45) ATF4ALDH1A1THRB
SCHEMBL24116908 0.89 ATF4 (0.43) ATF4ALDH1A1THRB
SCHEMBL21116401 0.89 ATF4 (0.44) ATF4ALDH1A1MAPTMEN1KMT2A
SCHEMBL21116587 0.88 ATF4 (0.42) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116408 0.88 ATF4 (0.42) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116448 0.88 ATF4 (0.42) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116451 0.87 HPGD (0.50) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116383 0.87 ATF4 (0.42) ATF4ALDH1A1MAPTTHRB
SCHEMBL24116662 0.86 SMN1; SMN2 (0.52) ATF4ALDH1A1MAPTMEN1KMT2A
SCHEMBL21116989 0.85 ATF4 (0.44) ATF4ALDH1A1MEN1KMT2A

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-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 US disclosed
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 (3 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 3433/4885MAPT 3293/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885MAPT 3293/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885MAPT 3293/4885

“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.