SCHEMBL3554827

SCHEMBL3554827

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.55
PSEN2 P49810 3/20 0.55
APH1B Q8WW43 3/20 0.55
NCSTN Q92542 3/20 0.55
APH1A Q96BI3 3/20 0.55
PSENEN Q9NZ42 3/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.51
AR P10275 3/20 0.49
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
ESR2 Q92731 1/20 0.48
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
SERPINE1 P05121 2/20 0.42
IDH1 O75874 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL3565125 0.92 AR (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3558265 0.91 AR (0.61) PTGDR2ARNR3C1PGRESR2
SCHEMBL3555624 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3563411 0.86 AR (0.54) ARPGRCACNA1BKMT2APOLB
SCHEMBL3562492 0.86 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3557545 0.85 PTGDR2 (0.51) PTGDR2ARCACNA1BSERPINE1AVPR2
SCHEMBL3552400 0.85 AR (0.60) PTGDR2ARCACNA1HCACNA1BMMP2
SCHEMBL3563514 0.83 SLC22A12 (0.50) PTGDR2MMP2KMT2AMMP1MMP3
SCHEMBL3551269 0.83 LMNA (0.50) ARCACNA1BCYP3A4KMT2APOLB
SCHEMBL3562887 0.83 PGR (0.57) PTGDR2ARPGRKMT2APOLB

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP claimed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 PSEN1 1325/4885PSEN2 2551/4885APH1B 1207/4885

“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.