SCHEMBL24848964

SCHEMBL24848964

COC(=O)c1cc(CO)ncc1Nc1ccc(S(C)(C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.36
▸ MAP2K1 Q02750 5/20 0.33
▸ CSF1R P07333 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ IARS2 Q9NSE4 1/20 0.32
▸ NUDT1 P36639 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ YAP1 P46937 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24849669 0.90 DHODH (0.36) DHODHMAP2K1CSF1RCA1CA2
SCHEMBL24849394 0.85 DHODH (0.36) DHODHMAP2K1CSF1RCA1CA2
SCHEMBL24849417 0.84 KDM4E (0.42) DHODHMAP2K1CA1CA2CA9
SCHEMBL30459905 0.83 MAP2K1 (0.35) DHODHMAP2K1CSF1RCA2CA9
SCHEMBL23673990 0.83 MAP2K1 (0.35) DHODHMAP2K1CSF1RCA2CA9
SCHEMBL24848943 0.83 DHODH (0.34) DHODHMAP2K1CSF1RCA1CA2
SCHEMBL24849644 0.82 NUDT1 (0.33) DHODHMAP2K1CSF1RCA1CA2
SCHEMBL23673873 0.74 MAP2K1 (0.35) DHODHMAP2K1CSF1RTGFBR1MAP2K2
SCHEMBL30866576 0.72 DHODH (0.37) DHODHMAP2K1MAP2K2
SCHEMBL24195914 0.71 LMNA (0.38) CA1CA2CA9LMNAMAPK1

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-20230270730-A1 COMPOSITION CONTAINING ARYLAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-08-31 — — US disclosed
US-20230002333-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-05 — — 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-20230270730-A1 COMPOSITION CONTAINING ARYLAMIDE DERIVATIVE BRAF, NRAS, KRAS DHODH 2249/4885MAP2K1 17/4885CSF1R 1365/4885
US-20230002333-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY BRAF, NRAS, KRAS DHODH 3092/4885MAP2K1 162/4885CSF1R 1142/4885

“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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