SCHEMBL2579871

SCHEMBL2579871

CCOC(=O)c1csc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.52
GAA P10253 2/20 0.51
OGA O60502 1/20 0.47
HPGD P15428 4/20 0.46
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR3 P49682 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 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
SCHEMBL1758544 0.89 CCR1 (0.53) CCR1GAAOGALMNAALDH1A1
SCHEMBL8513972 0.88 CCR1 (0.52) CCR1GAAOGALMNAALDH1A1
SCHEMBL1758419 0.86 GAA (0.49) CCR1GAALMNAALDH1A1MAPT
SCHEMBL25757907 0.85 CCR1 (0.50) CCR1GAALMNAALDH1A1KDM4E
SCHEMBL1120082 0.84 GAA (0.47) CCR1GAAHPGDLMNAALDH1A1
SCHEMBL8513975 0.84 CCR1 (0.54) CCR1GAALMNAKDM4ECXCR3
SCHEMBL27879754 0.84 CCR1 (0.52) CCR1GAAHPGDLMNAALDH1A1
SCHEMBL1758546 0.83 CCR1 (0.54) CCR1GAALMNAKDM4ECXCR3
SCHEMBL27863436 0.83 CCR1 (0.53) CCR1GAALMNAKDM4ECXCR3
SCHEMBL25757726 0.81 CCR1 (0.51) CCR1GAALMNAKDM4ECXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN claimed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 CCR1 1540/4885GAA 421/4885OGA 1191/4885

“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.