SCHEMBL30898463

SCHEMBL30898463

NC(=O)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.76
CHEK1 O14757 1/20 0.61
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2B6 P20813 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
IKBKB O14920 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MKNK1 Q9BUB5 4/20 0.47
MKNK2 Q9HBH9 4/20 0.47
ACMSD Q8TDX5 1/20 0.46

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
SCHEMBL7639339 0.84 CHEK2 (0.57) CHEK2CHEK1CYP2E1CYP2A6CYP2B6
SCHEMBL27623966 0.83 CHEK2 (0.56) CHEK2CHEK1CYP2E1CYP2A6CYP2B6
SCHEMBL203627 0.82 LCK (0.59) CHEK2CA12CA1CA2CA9
SCHEMBL6516791 0.80 HSD17B1 (0.55) CHEK2CHEK1CYP2E1CYP2A6CYP2B6
SCHEMBL7334475 0.80 CHEK2 (0.53) CHEK2CHEK1CYP2E1CYP2A6CYP2B6
SCHEMBL1002578 0.80 CA2 (0.67) CA12CA1CA2CA9CA14
SCHEMBL6664611 0.78 CHEK2 (0.55) CHEK2CHEK1CYP2E1CYP2A6CYP2B6
SCHEMBL27989815 0.78 CYP2A6 (0.74) CHEK2CYP2E1CYP2A6CYP2B6ACMSD
SCHEMBL5944164 0.77 HDAC1 (0.63) CHEK2CA12CA1CA9MMP2
SCHEMBL826805 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240075025-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-03-07 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 (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-20240075025-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders HADHB, HADHA, NDUFAB1 CHEK2 4804/4885CHEK1 4733/4885CA12 4873/4885

“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.