SCHEMBL271294

SCHEMBL271294

CC(=O)SCc1cc(C)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AR P10275 1/20 0.34
CES2 O00748 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL270573 0.83 HTT (0.44) RAB9AHTTGAA
SCHEMBL9957201 0.79 MAOB (0.49) NPSR1MEN1KMT2AKDM4EATM
SCHEMBL13451147 0.76 AR (0.38) NPSR1MEN1KMT2AKDM4EATM
SCHEMBL2139752 0.76 SRC (0.50) NPSR1MEN1KMT2AKDM4EATM
SCHEMBL272016 0.75 POLQ (0.49) CES2
SCHEMBL15457426 0.75 SMN1; SMN2 (0.35) NPSR1MEN1KMT2AMAPTKIF11
SCHEMBL12326734 0.74 KIF11 (0.40) NPSR1MEN1KMT2AKDM4EATM
SCHEMBL28214649 0.74 ICMT (0.40) NPSR1MEN1KMT2AKDM4EATM
SCHEMBL269806 0.74 PTGDR2 (0.35) KMT2ARAB9ASMN1; SMN2
SCHEMBL15607696 0.74 AMY1A (0.42) KIF11SMN1; SMN2AR

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
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
CN-101910138-B Herbicidal compounds SYNGENTA LTD 2013-06-26 CN disclosed
US-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 US disclosed
CN-101910138-A Herbicidal compounds SYNGENTA LTD 2010-12-08 CN disclosed
EP-2220056-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-08-25 EP disclosed
WO-2009063180-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-05-22 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-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 NPSR1 460/4885MEN1 2256/4885KMT2A 1548/4885

“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.