SCHEMBL22411915

SCHEMBL22411915

COc1c(F)cc(COC[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.37
▸ PPARG P37231 2/20 0.36
▸ CTSS P25774 1/20 0.36
▸ GSTP1 P09211 1/20 0.35
▸ GSTM2 P28161 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ TPMT P51580 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCL2 P10415 4/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL22411916 1.00 PPARA (0.37) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL29684130 0.87 MEN1 (0.39) TPMTMEN1KMT2ACYP3A4CYP2C19
SCHEMBL22411908 0.87 MEN1 (0.39) TPMTMEN1KMT2ACYP3A4CYP2C19
SCHEMBL22411914 0.84 GSTP1 (0.35) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL24496957 0.82 ALDH1A1 (0.48) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL28951034 0.82 ALDH1A1 (0.48) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL28951011 0.82 ALDH1A1 (0.48) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL22412005 0.80 MTNR1A (0.38) GSTP1GSTM2AAK1CYP3A4ALDH1A1
SCHEMBL24496961 0.80 PPARA (0.37) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL22412002 0.80 MTNR1A (0.38) GSTP1GSTM2AAK1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
EP-3938369-A1 TYK2 INHIBITORS AND USES THEREOF Esker Therapeutics, Inc. (US) 2022-01-19 — — EP disclosed
CN-113811534-A TYK2 inhibitors and uses thereof 埃斯克疗法股份有限公司 2021-12-17 — — CN disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — WO 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PPARA 2062/4885PPARG 2574/4885CTSS 4549/4885

“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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