SCHEMBL29684544

SCHEMBL29684544

O=C(COc1ccc(Cl)c(F)c1)NC12CC(C1)C2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 18/20 0.67
▸ ALDH1A1 P00352 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTPRC P08575 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ PTPN13 Q12923 1/20 0.49
▸ PTPN22 Q9Y2R2 1/20 0.49

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
SCHEMBL19555378 0.91 ATF4 (0.66) ATF4ALDH1A1HPGDTSHR
SCHEMBL19555376 0.89 ATF4 (0.66) ATF4ALDH1A1HPGDTSHR
SCHEMBL19569198 0.88 ATF4 (0.71) ATF4
SCHEMBL19569507 0.88 ATF4 (0.79) ATF4
SCHEMBL30024698 0.88 ATF4 (0.79) ATF4
SCHEMBL29683940 0.88 ALDH1A1 (0.58) ATF4ALDH1A1HPGDTSHRPTPRC
SCHEMBL19555327 0.88 ATF4 (0.71) ATF4
SCHEMBL19569488 0.86 ATF4 (0.72) ATF4
SCHEMBL22396719 0.86 ATF4 (0.65) ATF4
SCHEMBL19569580 0.86 ATF4 (0.72) ATF4

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-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-07 — — 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-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885HPGD 849/4885

“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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