SCHEMBL3679288

SCHEMBL3679288

NC(=S)C1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.49
EPHX2 P34913 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3681472 0.88 CCR3 (0.50) CCR3EPHX2L3MBTL1MEN1ALDH1A1
SCHEMBL3686330 0.88 ALDH1A1 (0.44) CCR3MAPK1MEN1ALDH1A1KMT2A
SCHEMBL3680260 0.84 CCR3 (0.45) CCR3MAPK1ERCC1ERCC4MEN1
SCHEMBL3682120 0.79 CCR3 (0.50) CCR3EPHX2MAPK1ERCC1ERCC4
SCHEMBL29497715 0.78 KMT2A (0.58) CCR3MEN1ALDH1A1KMT2A
SCHEMBL27998546 0.78 CCR3 (0.48) CCR3EPHX2ERCC1ERCC4
SCHEMBL3683326 0.75 ALDH1A1 (0.46) L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL3756840 0.71 ALDH1A1 (0.46) EPHX2NOTUMMEN1ALDH1A1KMT2A
SCHEMBL29718832 0.70 SIRT1 (0.47) L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL11008127 0.70 PKM (0.60) L3MBTL1MEN1ALDH1A1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US claimed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP claimed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO claimed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 CCR3 2288/4885EPHX2 1017/4885L3MBTL1 769/4885

“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.