SCHEMBL28609015

SCHEMBL28609015

Cn1cncc1-c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.53
▸ CTSS P25774 4/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CTSL P07711 1/20 0.52
▸ AKT1 P31749 1/20 0.51
▸ CCKAR P32238 4/20 0.49
▸ CCKBR P32239 4/20 0.49
▸ SCN9A Q15858 3/20 0.49
▸ PTPRB P23467 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ PABPC1 P11940 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ BCL2 P10415 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ ITGB7 P26010 1/20 0.45

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
SCHEMBL28607155 0.88 SCN9A (0.44) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28605021 0.86 MEN1 (0.48) CTSSCTSKCTSBCTSL
SCHEMBL28603103 0.82 IDO1 (0.41) CTSSCTSKSCN9ABCL2
SCHEMBL22410268 0.82 IDO1 (0.38) HDAC8CTSSCTSKCTSLSCN9A
SCHEMBL22410271 0.82 IDO1 (0.38) HDAC8CTSSCTSKCTSLSCN9A
SCHEMBL3944495 0.82 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL9610766 0.82 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL22126009 0.81 AAK1 (0.40) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL29894827 0.81 AAK1 (0.40) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28609000 0.81 CTSS (0.48) CTSSCTSK

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-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 — — US disclosed
CN-113164448-A Amino acid anilines as small molecule modulators of IL-17 利奥制药有限公司 2021-07-23 — — CN 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-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 HDAC8 666/4885CTSS 757/4885CTSK 441/4885

“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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