SCHEMBL22411908

SCHEMBL22411908

COc1c(F)cc(COCC(C)NC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TPMT P51580 1/20 0.38
▸ HCAR3 P49019 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34

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
SCHEMBL29684130 1.00 MEN1 (0.39) MEN1KMT2ATPMTHCAR3SRD5A2
SCHEMBL22411916 0.87 PPARA (0.37) MEN1KMT2ATPMTACACBALDH1A1
SCHEMBL22411915 0.87 PPARA (0.37) MEN1KMT2ATPMTACACBALDH1A1
SCHEMBL28669236 0.83 KMT2A (0.36) MEN1KMT2ATPMTHCAR3SRD5A2
SCHEMBL22411905 0.82 ALDH1A1 (0.36) MEN1KMT2ATPMTSRD5A2ALDH1A1
SCHEMBL22411902 0.82 ALDH1A1 (0.36) MEN1KMT2ATPMTSRD5A2ALDH1A1
Trifluoroacetic Acid SCHEMBL22411875 0.81 TPMT (0.36) MEN1KMT2ATPMTHCAR3SRD5A2
SCHEMBL22411917 0.79 SRD5A2 (0.36) MEN1KMT2ATPMTHCAR3SRD5A2
SCHEMBL22411874 0.73 CREBBP (0.37) MEN1KMT2AHCAR3ALDH1A1HTT
SCHEMBL5210174 0.73 TPMT (0.43) MEN1KMT2ATPMTSRD5A2ALDH1A1

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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2025-09-04 — — US disclosed
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
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 (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 MEN1 1061/4885KMT2A 42/4885TPMT 177/4885
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 MEN1 1061/4885KMT2A 42/4885TPMT 177/4885

“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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