SCHEMBL3582667

SCHEMBL3582667

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.31
RORC P51449 1/20 0.31
CCR1 P32246 1/20 0.30
KMT2A Q03164 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
SCHEMBL3581758 0.92 SHMT1 (0.32) SHMT1RORC
SCHEMBL3589321 0.91 SHMT1 (0.35) SHMT1RORCCCR1KMT2A
SCHEMBL13031557 0.87 POLB (0.31) RORCCCR1KMT2A
SCHEMBL13807694 0.84 CCR1 (0.33) RORCCCR1
SCHEMBL13807731 0.84 RORC (0.32) RORC
SCHEMBL3596505 0.83 SHMT1 (0.36) SHMT1RORCKMT2A
SCHEMBL3589462 0.80 GAA (0.46) RORCCCR1
SCHEMBL3577015 0.80 CXCR3 (0.41) RORCKMT2A
SCHEMBL13031533 0.79 POLB (0.32) KMT2A
SCHEMBL3579884 0.78 MAPT (0.41)

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 85/4885CCR1 8/4885

“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.