SCHEMBL23325440

SCHEMBL23325440

CC(C)c1cc(S)n(C)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL2610824 0.73 BAZ2B (0.39) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL2737328 0.73 ALDH1A1 (0.35) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL8764618 0.71 MAPK8 (0.32) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL4423855 0.71 NOS3 (0.39) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL8763937 0.71 ALDH1A1 (0.34) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL19209832 0.71 ALDH1A1 (0.32) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL10129937 0.68 LRRK2 (0.35) GAA
SCHEMBL24956324 0.68 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL9203781 0.68 PDE4B (0.37)
SCHEMBL12966919 0.68 KDM4E (0.32)

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-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-11566007-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-01-31 US disclosed
US-20210130303-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 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 (3 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-11566007-B2 Ras inhibitors KRAS, NRAS, HRAS ALDH1A1 4437/4885GAA 2164/4885NOS3 4516/4885
US-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 4437/4885GAA 2164/4885NOS3 4516/4885
US-20210130303-A1 RAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 4437/4885GAA 2164/4885NOS3 4516/4885

“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.