SCHEMBL21116655

SCHEMBL21116655

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
ATF4 P18848 10/20 0.43
ALDH1A1 P00352 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 2/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL21117003 0.91 MAPK14 (0.43) TRPV1ATF4ALDH1A1FFAR4
SCHEMBL21116605 0.91 ADAMTS5 (0.43) ATF4ALDH1A1LMNATAOK1TAOK3
SCHEMBL24324507 0.91 LMNA (0.49) ATF4ALDH1A1LMNATAOK1TAOK3
SCHEMBL24322876 0.91 ATF4 (0.45) ATF4ALDH1A1LMNATAOK1TAOK3
SCHEMBL24323059 0.89 GAA (0.53) ATF4ALDH1A1LMNAGAA
SCHEMBL24116960 0.89 TAOK1 (0.51) ATF4ALDH1A1TAOK1TAOK3SMN1; SMN2
SCHEMBL21117004 0.89 KMT2A (0.47) ATF4ALDH1A1SMN1; SMN2ADAMTS5NPSR1
SCHEMBL21116431 0.88 PTPRZ1 (0.42) ATF4ALDH1A1LMNATAOK1TAOK3
SCHEMBL21116635 0.88 L3MBTL1 (0.44) ATF4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL21116606 0.88 ATF4 (0.45) ATF4ALDH1A1LMNATAOK1TAOK3

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 TRPV1 2490/4885ATF4 1/4885ALDH1A1 3433/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TRPV1 2490/4885ATF4 1/4885ALDH1A1 3433/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TRPV1 2490/4885ATF4 1/4885ALDH1A1 3433/4885

“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.