SCHEMBL25409411

SCHEMBL25409411

CC(C)c1cc(=O)[nH]c(S)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ XDH P47989 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL6929765 0.79 CYP3A4 (0.33) CYP3A4BLMBACE1
SCHEMBL31231913 0.78 CYP3A4 (0.57) ALDH1A1MEN1KMT2ACYP3A4BLM
SCHEMBL12566436 0.78 GSK3B (0.53) KDM5BALDH1A1GSK3BMEN1KMT2A
SCHEMBL11547723 0.78 SMN1; SMN2 (0.48) KDM5BALDH1A1GSK3BMEN1KMT2A
Methylthiouracil SCHEMBL11433163 0.72 — —
SCHEMBL8723531 0.68 — —
SCHEMBL17382471 0.68 — —
SCHEMBL6998274 0.68 LMNA (0.47) KDM5BALDH1A1BACE1SMN1; SMN2
SCHEMBL24223835 0.68 SHMT2 (0.38) KMT2ACYP3A4BLMNOS3NOS2
SCHEMBL22705028 0.67 ALDH1A1 (0.42) KDM5BALDH1A1GSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851435-B2 PTGR2 inhibitors and their use NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-12-26 — — US disclosed
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE NATIONAL TAIWAN UNIVERSITY (TW) 2023-09-07 — — 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 (2 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-11851435-B2 PTGR2 inhibitors and their use PTGFR, PTGIR, PTGDR2 KDM5B 4285/4885ALDH1A1 1177/4885GSK3B 2581/4885
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE PTGFR, PTGIR, PTGDR2 KDM5B 4285/4885ALDH1A1 1177/4885GSK3B 2581/4885

“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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