SCHEMBL3589124

SCHEMBL3589124

Cc1nn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)CC2)c(C)c1I

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
RORC P51449 1/20 0.33
CCR1 P32246 4/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
SHMT1 P34896 1/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31

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
SCHEMBL3592654 0.90 RORC (0.33) RORCCCR1MAPTLMNASHMT1
SCHEMBL3581647 0.85 CXCR3 (0.36) RORCSHMT1CPT2CPT1ACPT1B
SCHEMBL3577015 0.85 CXCR3 (0.41) RORCMAPTLMNA
SCHEMBL13031451 0.83 MAPT (0.35) TP53RORCCCR1MAPTTHRB
SCHEMBL3589462 0.82 GAA (0.46) TP53RORCCCR1LMNACPT1A
SCHEMBL3596505 0.82 SHMT1 (0.36) TP53RORCMAPTLMNASHMT1
SCHEMBL3584160 0.80 RORC (0.38) TP53RORCMAPTLMNASHMT1
SCHEMBL3586581 0.80 GAA (0.36) RORCCCR1LMNACPT1A
SCHEMBL3589321 0.80 SHMT1 (0.35) TP53RORCCCR1IRAK4SHMT1
SCHEMBL3595230 0.80 RORC (0.36) RORCLMNAIRAK4SHMT1CPT2

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 5 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 claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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 TP53 2604/4885RORC 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.