SCHEMBL29494628

SCHEMBL29494628

CC(C)(C)OC(=O)N(CCNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.40
▸ KIF11 P52732 10/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36

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
SCHEMBL29494633 1.00 SIRT2 (0.40) SIRT2KIF11HDAC3HDAC1HDAC2
SCHEMBL20695568 0.79 KIF11 (0.47) KIF11
SCHEMBL17502351 0.79 KIF11 (0.41) SIRT2KIF11DRD2DRD4OPRM1
SCHEMBL13753316 0.78 KIF11 (0.43) KIF11
SCHEMBL29032286 0.78 IDO1 (0.50) SIRT2KIF11DRD2
SCHEMBL17493273 0.78 CA14 (0.41) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL18291881 0.78 CA14 (0.41) SIRT2KIF11HDAC3HDAC1HDAC2
SCHEMBL13753391 0.77 KIF11 (0.43) KIF11
SCHEMBL14708941 0.77 CA14 (0.45) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL16141285 0.77 CA14 (0.45) SIRT2KIF11HDAC3HDAC1HDAC2

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-20260102525-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF SILBER B MICHAEL (US) 2026-04-16 — — US disclosed
US-20250255992-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF REILEY PHARMACEUTICALS INC (US) 2025-08-14 — — US disclosed
US-20240358866-A1 NSAID-DERIVED CONJUGATE COMPOUNDS FOR IMAGING REILEY PHARMACEUTICALS INC (US) 2024-10-31 — — US disclosed
US-20220133918-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF Reiley Pharmaceuticals, Inc. 2022-05-05 — — 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 (4 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-20250255992-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF PTGES2, PTGES, OPRK1 SIRT2 3317/4885KIF11 4386/4885HDAC3 2715/4885
US-20260102525-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF OPRK1, OPRD1, OPRM1 SIRT2 4049/4885KIF11 3993/4885HDAC3 888/4885
US-20220133918-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF PTGES2, PTGES, OPRK1 SIRT2 3317/4885KIF11 4386/4885HDAC3 2715/4885
US-20240358866-A1 NSAID-DERIVED CONJUGATE COMPOUNDS FOR IMAGING PTGES2, PTGS2, PTGES SIRT2 3135/4885KIF11 3969/4885HDAC3 2549/4885

“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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