SCHEMBL22956629

SCHEMBL22956629

O=C(COc1ccc(F)c(Cl)c1)NC12CCC(NC(=O)c3cc(C(F)F)no3)(CC1)C[C@@H]2O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 14/20 0.38
▸ BDKRB1 P46663 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL19555951 0.94 ATF4 (0.45) ATF4
SCHEMBL19556229 0.94 ATF4 (0.45) ATF4
SCHEMBL19556219 0.94 ATF4 (0.37) ATF4ALDH1A1HPGDTSHRMAPT
SCHEMBL22437035 0.94 ATF4 (0.37) ATF4ALDH1A1HPGDTSHRMAPT
SCHEMBL22627874 0.93 ATF4 (0.36) ATF4BDKRB1ALDH1A1HPGDTSHR
SCHEMBL32689700 0.93 ATF4 (0.36) ATF4BDKRB1ALDH1A1HPGDTSHR
SCHEMBL22628519 0.92 ATF4 (0.47) ATF4TSHRNPC1MAPT
SCHEMBL22628079 0.91 SENP2 (0.44) ATF4ALDH1A1TSHRNPC1MAPT
SCHEMBL32689691 0.91 SENP2 (0.44) ATF4ALDH1A1TSHRNPC1MAPT
SCHEMBL22628059 0.90 FKBP1A (0.38) ATF4ALDH1A1NPC1MAPT

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-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 — — 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-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885BDKRB1 2945/4885ALDH1A1 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.

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