SCHEMBL1236175

SCHEMBL1236175

CCn1ncc(C(=O)c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2OC)c1O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
TMPRSS4 Q9NRS4 1/20 0.30
RAB9A P51151 1/20 0.30
NR3C1 P04150 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NPBWR1 P48145 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CTSS P25774 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
SCHEMBL10053360 0.86 LMNA (0.34) SMN1; SMN2RAB9ANR3C1LMNAGAA
SCHEMBL1637412 0.80 LMNA (0.34) SMN1; SMN2RAB9ANR3C1LMNAGAA
SCHEMBL1236184 0.78 GAA (0.32) LMNAGAAALDH1A1NPSR1CTSS
SCHEMBL9076511 0.76 KDM4E (0.34) SMN1; SMN2RAB9ALMNAGAAALDH1A1
SCHEMBL12724669 0.75 LMNA (0.36) RAF1SMN1; SMN2RAB9ANR3C1LMNA
SCHEMBL1962808 0.74 MEN1 (0.39) SMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL12724679 0.73 LMNA (0.36) SMN1; SMN2RAB9ALMNAGAAALDH1A1
SCHEMBL10053361 0.72 AR (0.32) ALDH1A1
SCHEMBL1634766 0.72 RAB9A (0.36) SMN1; SMN2RAB9ANR3C1LMNAALDH1A1
SCHEMBL27524777 0.71 LMNA (0.44) SMN1; SMN2RAB9ALMNAGAAALDH1A1

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-2475646-B1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER IP GMBH (DE) 2017-06-21 EP disclosed
US-8288319-B2 4-(3-alkylthiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2012-10-16 US disclosed
EP-2475646-A1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2012-07-18 EP disclosed
US-20110045980-A1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
WO-2011012246-A1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-02-03 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-20110045980-A1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES CYP4X1, PRDX4, PRXL2A RAF1 1215/4885SMN1; SMN2 4799/4885TMPRSS4 4087/4885

“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.