SCHEMBL29660779

SCHEMBL29660779

CCOC(=O)c1nc(C(C)C)sc1C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MC4R P32245 1/20 0.41
CDC7 O00311 3/20 0.40
DBF4 Q9UBU7 3/20 0.40
TRPM8 Q7Z2W7 2/20 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
SCHEMBL5520528 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDLMNAKDM4E
SCHEMBL28979284 0.85 GAA (0.52) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL9795341 0.84 CDC7 (0.54) ALDH1A1CYP1A2HPGDLMNAKDM4E
SCHEMBL29660850 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL5731919 0.83 MEN1 (0.45) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL2827636 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL22658446 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL29660827 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL9256013 0.80 ALDH1A1 (0.70) ALDH1A1CYP1A2HPGDLMNAGAA
SCHEMBL12332822 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDLMNAGAA

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-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 WO 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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD ALDH1A1 1954/4885CYP1A2 1468/4885HPGD 2200/4885

“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.