SCHEMBL270573

SCHEMBL270573

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
POLQ O75417 1/20 0.41
FAAH O00519 4/20 0.40
PIEZO1 Q92508 1/20 0.40
IDO1 P14902 4/20 0.39
P2RX7 Q99572 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
DDR1 Q08345 2/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
GAA P10253 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
SCHEMBL271294 0.83 NPSR1 (0.36) HTTRAB9AGAA
SCHEMBL17472737 0.81 IDO1 (0.43) HTTIDO1
SCHEMBL9957201 0.78 MAOB (0.49) HTTPOLQIDO1GAA
SCHEMBL10283739 0.77 NOS3 (0.50) HTTNOS3NOS1NOS2POLQ
SCHEMBL27930782 0.77 HTT (0.45) HTTNOS3NOS1NOS2POLQ
SCHEMBL27752249 0.76 HTT (0.47) HTTNOS3NOS1NOS2POLQ
SCHEMBL671103 0.74 POLQ (0.48) HTTNOS3NOS1NOS2POLQ
SCHEMBL6076875 0.74 ALDH1A1 (0.50) IDO1
SCHEMBL272016 0.74 POLQ (0.49) POLQCYP2D6
SCHEMBL18908921 0.73 NOS3 (0.47) HTTNOS3NOS1NOS2POLQ

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 6 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
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 HTT 1457/4885NOS3 77/4885NOS1 56/4885

“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.