SCHEMBL1360404

SCHEMBL1360404

CCSC(=O)C(CC)Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
OGG1 O15527 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3942614 0.80 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARA
SCHEMBL10631697 0.80 SMN1; SMN2 (0.42) SMN1; SMN2POLBGAACYP1A2CYP2D6
SCHEMBL1360441 0.79 SMN1; SMN2 (0.41) SMN1; SMN2POLBGAACYP1A2CYP2D6
SCHEMBL1359803 0.73 SMN1; SMN2 (0.39) SMN1; SMN2POLBGAACYP1A2CYP2D6
SCHEMBL11875470 0.73 POLB (0.38) SMN1; SMN2POLBGAATSHRCARM1
SCHEMBL11440843 0.72 SMN1; SMN2 (0.53) SMN1; SMN2PPARGPPARA
SCHEMBL10637985 0.70 OGG1 (0.50) SMN1; SMN2OGG1
SCHEMBL8852972 0.70 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAOGG1
SCHEMBL1360405 0.70 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL508413 0.68 CNR2 (0.35) SMN1; SMN2CARM1PRMT6OGG1

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-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US disclosed
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 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-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 SMN1; SMN2 2161/4885POLB 4255/4885GAA 1688/4885

“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.