SCHEMBL1228591

SCHEMBL1228591

CCOC(=O)c1csc(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP8 Q14790 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PPARG P37231 1/20 0.40
KDM4E B2RXH2 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 1/20 0.38
CLK1 P49759 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1228585 0.88 FAAH (0.42) FAAHMEN1KMT2AALDH1A1ALOX12
SCHEMBL9105880 0.87 SPR (0.42) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL27863492 0.86 NPC1 (0.40) FAAHMEN1KMT2AALDH1A1NPC1
SCHEMBL1227008 0.83 FAAH (0.41) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL5057795 0.83 PPARG (0.49) CASP3CASP7CASP8MEN1KMT2A
SCHEMBL2773331 0.83 CASP3 (0.47) FAAHCASP3CASP7CASP8MEN1
Hydrochloric Acid SCHEMBL1227743 0.82 FAAH (0.41) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL29497684 0.82 FAAH (0.40) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL18978887 0.82 FAAH (0.40) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL1884146 0.79 CASP3 (0.48) FAAHCASP3CASP7CASP8MEN1

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-8557821-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION, LLC (US) 2013-10-15 US disclosed
CN-102596943-A Microbiocidal heterocycles SYNGENTA PARTICIPATIONS AG 2012-07-18 CN disclosed
EP-2464643-A1 MICROBIOCIDAL HETEROCYCLES Syngenta Participations AG (CH) 2012-06-20 EP disclosed
US-20120142700-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
WO-2011018401-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2011-02-17 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-20120142700-A1 MICROBIOCIDAL HETEROCYCLES MPO, CYP51A1, CYP1A1 FAAH 275/4885CASP3 355/4885CASP7 137/4885

“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.