Sugi Predict

Sugi Predict / Compounds / SCHEMBL17658626

SCHEMBL17658626

SCHEMBL17658626

COc1ccc(OCC(=O)N[C@H]2CC[C@H](NC(=O)COc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 3/20 0.86
▸ KMT2A Q03164 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL16082980 0.93 ATF4 (1.00) ATF4KMT2AALDH1A1MEN1LMNA
SCHEMBL17658509 0.93 LMNA (0.72) ATF4KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL16083047 0.93 ATF4 (1.00) ATF4KMT2AALDH1A1MEN1LMNA
SCHEMBL16082988 0.93 ATF4 (1.00) ATF4KMT2AALDH1A1MEN1LMNA
SCHEMBL17658492 0.89 ATF4 (0.86) ATF4KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL19660078 0.89 ATF4 (0.86) ATF4KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL17656861 0.89 ATF4 (0.86) ATF4KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL19659841 0.89 ATF4 (0.86) ATF4KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL30685467 0.88 ATF4 (0.80) ATF4KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL17658630 0.87 ATF4 (0.89) ATF4KMT2AALDH1A1MEN1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968347-B1 MODULATORS OF THE EIF2ALPHA PATHWAY UNIV CALIFORNIA (US) 2023-08-02 — — EP disclosed
US-11220477-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-11 — — US disclosed
US-10343981-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-09 — — US disclosed
US-20170342020-A1 MODULATORS OF THE EIF2ALPHA PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-11-30 — — US disclosed
US-9708247-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-18 — — US disclosed
US-20160096800-A1 MODULATORS OF THE EIF2ALPHA PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-04-07 — — 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 (4 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-20170342020-A1 MODULATORS OF THE EIF2ALPHA PATHWAY EIF2AK1, EIF2A, EIF2AK3 ATF4 7/4885KMT2A 3254/4885ALDH1A1 4479/4885
US-11220477-B2 Modulators of the eIF2alpha pathway EIF2AK1, EIF2A, EIF2AK3 ATF4 7/4885KMT2A 3254/4885ALDH1A1 4479/4885
US-20160096800-A1 MODULATORS OF THE EIF2ALPHA PATHWAY EIF2AK1, EIF2A, EIF2AK3 ATF4 7/4885KMT2A 3254/4885ALDH1A1 4479/4885
US-10343981-B2 Modulators of the eIF2alpha pathway EIF2AK1, EIF2A, EIF2AK3 ATF4 7/4885KMT2A 3254/4885ALDH1A1 4479/4885

“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.