SCHEMBL29684374

SCHEMBL29684374

C[C@H](COCc1cc([N+](=O)[O-])c2cnn(C)c2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.35
▸ CREBBP Q92793 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ GSTP1 P09211 1/20 0.33
▸ GSTM2 P28161 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ BCL2 P10415 5/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28665586 1.00 PPARA (0.35) PPARACREBBPPPARGCTSSGSTP1
SCHEMBL22411874 0.88 CREBBP (0.37) CREBBPGAAMEN1KMT2A
SCHEMBL28687446 0.83 ALDH1A1 (0.42) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL31172085 0.83 ALDH1A1 (0.42) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL28665584 0.83 CREBBP (0.35) CREBBPGAAMEN1KMT2A
SCHEMBL31681403 0.79 — —
SCHEMBL22411929 0.79 — —
SCHEMBL22412042 0.79 CREBBP (0.36) CREBBPGAAMEN1KMT2A
SCHEMBL22412040 0.79 CREBBP (0.36) CREBBPGAAMEN1KMT2A
SCHEMBL31172072 0.79 CREBBP (0.36) CREBBPGAAMEN1KMT2A

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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2025-09-04 — — US disclosed
CN-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 — — CN disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — 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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PPARA 2062/4885CREBBP 761/4885PPARG 2574/4885
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PPARA 2062/4885CREBBP 761/4885PPARG 2574/4885

“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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