SCHEMBL29459191

SCHEMBL29459191

O=C(CCCCC1SCC2NC(=O)NC21)Nc1cccc(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.72
▸ CA1 P00915 5/20 0.72
▸ CA2 P00918 5/20 0.72
▸ CA9 Q16790 5/20 0.72
▸ PTPRF P10586 2/20 0.62
▸ PTPN2 P17706 2/20 0.62
▸ PTPN1 P18031 2/20 0.62
▸ TDP1 Q9NUW8 5/20 0.57
▸ PKM P14618 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.53
▸ ITGB1 P05556 1/20 0.51
▸ ITGA4 P13612 1/20 0.51

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
SCHEMBL28659111 1.00 CA12 (0.72) CA12CA1CA2CA9PTPRF
SCHEMBL29459238 0.90 CA12 (0.69) CA12CA1CA2CA9PTPRF
SCHEMBL14253654 0.89 CA12 (0.74) CA12CA1CA2CA9PTPRF
SCHEMBL6036966 0.88 CA12 (0.73) CA12CA1CA2CA9PTPRF
SCHEMBL3620407 0.88 CA12 (0.73) CA12CA1CA2CA9PTPRF
SCHEMBL18391007 0.88 CA12 (0.73) CA12CA1CA2CA9PTPRF
SCHEMBL10426496 0.87 CA12 (0.73) CA12CA1CA2CA9PTPRF
SCHEMBL565442 0.87 CA12 (0.72) CA12CA1CA2CA9PTPRF
SCHEMBL10027487 0.85 CA12 (0.74) CA12CA1CA2CA9PTPRF
SCHEMBL22584848 0.84 CA12 (0.72) CA12CA1CA2CA9PTPRF

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
EP-3924349-B1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES THE ROSKAMP INST (US) 2025-06-25 — — EP disclosed
US-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases THE ROSKAMP INST (US) 2022-03-17 — — 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-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases NFKBIA, NFRKB, IKBKG CA12 4849/4885CA1 4769/4885CA2 4362/4885

“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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