SCHEMBL29030786

SCHEMBL29030786

CCOC(=O)c1sc(C2CC2)nc1C(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.41
DHODH Q02127 3/20 0.40
HPGD P15428 8/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
RCE1 Q9Y256 1/20 0.36

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
SCHEMBL29030782 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL29030796 0.78 ALDH1A1 (0.46) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL25242860 0.78 ALDH1A1 (0.46) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL22455545 0.77 GAA (0.50) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL2826262 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL29660769 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL22440659 0.75 KMT2A (0.44) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL22455546 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL29660772 0.75 ALDH1A1 (0.47) ALDH1A1CYP1A2GAAHSD17B10HTT
SCHEMBL4762073 0.74 CASP3 (0.51) ALDH1A1GAAHSD17B10HTTTSHR

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 4 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
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN 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 1468/4885GAA 2907/4885

“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.