SCHEMBL2908645

SCHEMBL2908645

Cc1ccc(F)c(CS(=O)(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
CD38 P28907 1/20 0.39
PKM P14618 2/20 0.36
FPR3 P25089 1/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDH1 O75874 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NAMPT P43490 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B1 P15121 1/20 0.31

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
SCHEMBL2903751 0.85 GAA (0.35) P2RX7CD38PKMTDP1LMNA
SCHEMBL272372 0.84 P2RX7 (0.39) P2RX7CD38PKMFPR3IDH1
SCHEMBL2936621 0.82 GAA (0.37) P2RX7CD38PKMLMNAKDM4E
SCHEMBL271563 0.81 P2RX7 (0.38) P2RX7CD38PKMTDP1LMNA
SCHEMBL2910890 0.79 KDM4E (0.33) PKMLMNAKDM4EGAATSHR
SCHEMBL2902700 0.79 POLB (0.38) PKMALDH1A1LMNAKDM4EPOLB
SCHEMBL1167603 0.76 P2RX7 (0.43) P2RX7CD38PKMFPR3ALDH1A1
SCHEMBL28773653 0.74 ALDH1A1 (0.44) ALDH1A1TDP1LMNAPOLBTSHR
SCHEMBL3730371 0.74 P2RX7 (0.48) P2RX7CD38LMNAKDM4EGAA
SCHEMBL9608978 0.74 P2RX7 (0.41) P2RX7CD38PKMFPR3ALDH1A1

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 4 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-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 P2RX7 1479/4885CD38 1561/4885PKM 2299/4885

“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.