SCHEMBL3298451

SCHEMBL3298451

O=S(=O)(Nc1ccc2[nH]cc(C(F)(F)F)c2c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.56
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
BRD4 O60885 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PGR P06401 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1F P30939 1/20 0.42

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
SCHEMBL3300307 0.83 HTR6 (0.61) HTR6BRD4CYP3A4CYP2D6PSEN1
SCHEMBL3301376 0.81 HTR6 (0.59) HTR6BRD4CYP3A4CYP2D6PSEN1
SCHEMBL3304239 0.81 HTR6 (0.62) HTR6BRD4CYP3A4CYP2D6PSEN1
SCHEMBL3297282 0.79 HTR6 (0.76) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3298541 0.78 HTR6 (0.56) HTR6BRD4CYP3A4CYP2D6PSEN1
SCHEMBL13409268 0.75 AR (0.34) HTR6
SCHEMBL29561277 0.74 FFAR4 (0.62) FFAR1FFAR4CYP3A4CYP2D6PSEN1
SCHEMBL8765383 0.73 CYP3A4 (0.61) BRD4CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL3156829 0.72 HTR6 (1.00) HTR6HTR1AHTR1DHTR1B
SCHEMBL2840500 0.72 BRD4 (0.65) HTR6BRD4CYP3A4CYP2D6PSEN1

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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 HTR6 2697/4885FFAR1 2060/4885FFAR4 3155/4885

“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.