SCHEMBL7974836

SCHEMBL7974836

COC(=O)C1=Cc2ccccc2S(=O)(=O)N1c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.41
EDNRA P25101 1/20 0.38
HPGD P15428 3/20 0.37
ELANE P08246 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPT P10636 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
ADORA3 P0DMS8 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
CACNA1C Q13936 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL7188174 0.85 EDNRA (0.42) RBP4EDNRAHPGDELANESLC22A12
SCHEMBL7991423 0.83 HPGD (0.39) HPGDMAPTTSHRKDM4EALDH1A1
SCHEMBL7984174 0.81 HPGD (0.38) HPGDMAPTTSHRKMT2AKDM4E
SCHEMBL6541180 0.76 EDNRA (0.47) RBP4EDNRAHPGDELANECYP1A2
SCHEMBL6800970 0.74 HSD11B1 (0.40) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6542210 0.73 HSD11B1 (0.49) RBP4EDNRAHPGDELANEMAPT
SCHEMBL6541319 0.71 EDNRA (0.54) RBP4EDNRAHPGDELANEMAPT
SCHEMBL6541201 0.70 EDNRA (0.53) RBP4EDNRAHPGDELANEMAPT
SCHEMBL6542398 0.66 LMNA (0.60) EDNRAHPGDELANEHTR1ADRD2
SCHEMBL6542066 0.65 EDNRA (0.63) EDNRAELANESLC22A12MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB RBP4 3017/4885EDNRA 2/4885HPGD 1103/4885

“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.