SCHEMBL3596525

SCHEMBL3596525

COC(=O)Cc1ncn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)n3)CC2)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.33
CPT2 P23786 5/20 0.33
CPT1B Q92523 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
FPR2 P25090 1/20 0.31
KMT2A Q03164 1/20 0.31
SHMT1 P34896 1/20 0.30
KCNH2 Q12809 1/20 0.30
LMNA P02545 1/20 0.30
SCN9A Q15858 1/20 0.30

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
Hydrochloric Acid SCHEMBL3591188 0.93 CPT1A (0.34) CPT1ACPT2CPT1BFPR2SHMT1
SCHEMBL15451262 0.92 KCNH2 (0.35) CPT1ACPT2CPT1BIRAK4FPR2
SCHEMBL13031347 0.86 KMT2A (0.33) KMT2AKCNH2
SCHEMBL3586453 0.85 IRAK4 (0.39) IRAK4
SCHEMBL3585404 0.84 CPT1A (0.32) CPT1ACPT2CPT1BIRAK4KMT2A
Hydrochloric Acid SCHEMBL3585764 0.84 CPT1A (0.33) CPT1ACPT2CPT1BIRAK4FPR2
SCHEMBL3589601 0.83 CPT1A (0.33) CPT1ACPT2CPT1BIRAK4KCNH2
SCHEMBL3581779 0.83 TLR9 (0.34) CPT1ACPT2CPT1BIRAK4FPR2
SCHEMBL3581627 0.82 IRAK4 (0.33) CPT1ACPT2CPT1BIRAK4FPR2
SCHEMBL3589593 0.82 LMNA (0.40) CPT1ACPT2KCNH2LMNA

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-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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 (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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CPT1A 1947/4885CPT2 2552/4885CPT1B 2772/4885

“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.