SCHEMBL271834

SCHEMBL271834

O=S(=O)(Cl)Cc1c(Cl)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.40
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2B6 P20813 1/20 0.31
MAOA P21397 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEP1B Q16820 1/20 0.30

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
SCHEMBL2908977 0.84 NOTUM (0.39) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL270725 0.82 NOTUM (0.38) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL271469 0.78 AR (0.33)
SCHEMBL269809 0.75 P2RX7 (0.36) NOTUMKMT2AMEN1ALDH1A1TSHR
SCHEMBL271277 0.75 RORC (0.39) KMT2AMEN1L3MBTL1
SCHEMBL271673 0.71 AKR1B1 (0.46) CYP1A2CYP2C9MAOACYP2C19KMT2A
SCHEMBL20335479 0.71 TSHR (0.35) TSHR
SCHEMBL270955 0.69 TAAR1 (0.38) KMT2AMEN1ALDH1A1
SCHEMBL1269549 0.68 NOTUM (0.50) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL16914843 0.68 KDM4E (0.54) KMT2AMEN1ATM

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 3 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

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 NOTUM 234/4885CYP1A2 10/4885CYP2C9 31/4885

“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.