SCHEMBL272016

SCHEMBL272016

CC(=O)SCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 10/20 0.49
CES2 O00748 2/20 0.47
DAO P14920 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ESRRA P11474 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL269806 0.83 PTGDR2 (0.35) POLQPTGDR2EPHX2
SCHEMBL14263469 0.79 POLQ (0.59) POLQCES2DAOPTGDR2
SCHEMBL9957201 0.79 MAOB (0.49) POLQHDAC3HDAC1HDAC2HDAC8
SCHEMBL3773680 0.78 IDO1 (0.61) POLQ
SCHEMBL4416164 0.76 POLQ (0.51) POLQCES2DAOPTGDR2RXRA
SCHEMBL271294 0.75 NPSR1 (0.36) CES2
SCHEMBL6193603 0.75 POLQ (0.58) POLQCES2DAOPTGDR2RXRA
SCHEMBL270573 0.74 HTT (0.44) POLQCYP2D6
SCHEMBL1993639 0.74 CES2 (0.52) POLQCES2DAOPTGDR2RXRA
SCHEMBL3741058 0.73 POLQ (0.61) POLQCES2PTGDR2RXRARXRB

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
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP 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
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 POLQ 3447/4885CES2 87/4885DAO 338/4885

“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.