SCHEMBL3306295

SCHEMBL3306295

O=CNCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.70
PTPN1 P18031 2/20 0.70
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH7 P40394 1/20 0.50
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
KIF11 P52732 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL515524 0.80 ADH1B (0.49) PTPRZ1PTPN1ADH1BADH1CADH1A
SCHEMBL8763196 0.78 ADH1B (0.76) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5563665 0.77 PTPRZ1 (0.62) PTPRZ1PTPN1EPHX2NR1H4ALKBH5
SCHEMBL13123457 0.76 PTPRZ1 (0.79) PTPRZ1PTPN1EPHX2NR1H4ALKBH5
SCHEMBL3310761 0.76 ADH1B (0.55) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL3903614 0.76 ADH1B (0.55) PTPRZ1PTPN1ADH1BADH1CADH1A
SCHEMBL3306293 0.75 PTPRZ1 (0.65) PTPRZ1PTPN1EPHX2NR1H4ALKBH5
SCHEMBL16250575 0.74 PTPRZ1 (0.73) PTPRZ1PTPN1EPHX2NR1H4ALKBH5
SCHEMBL24652924 0.73 ADH1B (0.52) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL5542845 0.73 ADH1B (0.52) PTPRZ1PTPN1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
EP-0067080-B1 N-FLUORINATED BENZYL AMIDES AND PROCESS FOR THEIR PREPARATION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US disclosed
EP-0067080-A1 N-fluorinated benzyl amides and process for their preparation RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-15 EP 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 PTPRZ1 3926/4885PTPN1 2291/4885ADH1B 2296/4885

“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.