SCHEMBL269806

SCHEMBL269806

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
KDM1A O60341 2/20 0.35
GPR183 P32249 2/20 0.34
POLQ O75417 4/20 0.34
EPHX2 P34913 2/20 0.34
NOTUM Q6P988 1/20 0.34
S1PR4 O95977 1/20 0.33
EPRS1 P07814 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL272016 0.83 POLQ (0.49) PTGDR2POLQEPHX2
SCHEMBL22235493 0.80 POLQ (0.42) PTGDR2KDM1AGPR183POLQEPHX2
SCHEMBL9957201 0.78 MAOB (0.49) POLQEPHX2KMT2A
SCHEMBL16770736 0.77 KDM1A (0.42) PTGDR2KDM1AGPR183POLQEPHX2
SCHEMBL1988822 0.76 SETDB1 (0.49) EPHX2
SCHEMBL20196946 0.75 KDM1A (0.43) PTGDR2KDM1AGPR183S1PR4EPRS1
SCHEMBL30626575 0.75 KDM1A (0.43) PTGDR2KDM1AGPR183S1PR4EPRS1
SCHEMBL20563511 0.74 RXRA (0.46) PTGDR2KDM1APOLQEPRS1
SCHEMBL29754255 0.74 RXRA (0.46) PTGDR2KDM1APOLQEPRS1
SCHEMBL271294 0.74 NPSR1 (0.36) RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
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-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US 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
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 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
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 PTGDR2 2356/4885KDM1A 446/4885GPR183 3186/4885

“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.