SCHEMBL22627900

SCHEMBL22627900

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1csc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATF4 P18848 7/20 0.40

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
SCHEMBL22956444 0.95 OPRK1 (0.43) OPRK1KMT2AATF4
SCHEMBL22956704 0.85 ATF4 (0.40) ATF4
SCHEMBL22627904 0.82 ATF4 (0.51) OPRK1KMT2AATF4
SCHEMBL22628076 0.82 ATF4 (0.43) ATF4
SCHEMBL22956566 0.80 ALDH1A1 (0.39) ATF4
SCHEMBL22627603 0.80 TP53 (0.49) KMT2A
SCHEMBL22956190 0.79 ATF4 (0.43) ATF4
SCHEMBL22628005 0.78 ALDH1A1 (0.41) KMT2AATF4
SCHEMBL22628292 0.78 ATF4 (0.40) KMT2AATF4
SCHEMBL22628188 0.78 KMT2A (0.53) KMT2AATF4

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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 OPRK1 680/4885KMT2A 4320/4885ATF4 1/4885

“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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