SCHEMBL3589321

SCHEMBL3589321

COC(=O)Cc1cc(C)n(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.35
RORC P51449 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
CPT1A P50416 4/20 0.32
CPT2 P23786 3/20 0.32
CPT1B Q92523 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CCR1 P32246 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CXCR3 P49682 1/20 0.30
KCNH2 Q12809 1/20 0.30
TP53 P04637 1/20 0.30
SHMT2 P34897 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
SCHEMBL3582667 0.91 SHMT1 (0.31) SHMT1RORCKMT2ACCR1
SCHEMBL3596505 0.91 SHMT1 (0.36) SHMT1RORCCPT1ACPT2CPT1B
SCHEMBL3577015 0.87 CXCR3 (0.41) RORCKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13031504 0.85 KMT2A (0.32) RORCKMT2AMEN1ALDH1A1CCR1
SCHEMBL3589462 0.84 GAA (0.46) RORCCPT1ACCR1TP53
SCHEMBL3581758 0.83 SHMT1 (0.32) SHMT1RORCTP53
SCHEMBL3581647 0.82 CXCR3 (0.36) SHMT1RORCCPT1ACPT2CPT1B
SCHEMBL13807687 0.82 MAPT (0.34) SHMT1RORCKMT2AMEN1ALDH1A1
SCHEMBL3589124 0.80 TP53 (0.33) SHMT1RORCIRAK4CPT1ACPT2
SCHEMBL3592654 0.80 RORC (0.33) SHMT1RORCCCR1

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 SHMT1 2666/4885RORC 85/4885IRAK4 367/4885

“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.