SCHEMBL3554430

SCHEMBL3554430

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.50
CACNA1B Q00975 3/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
PKM P14618 1/20 0.46
NR4A2 P43354 1/20 0.44
ACLY P53396 3/20 0.44
HTT P42858 1/20 0.43
SLC16A3 O15427 1/20 0.42
CCR1 P32246 2/20 0.42
CCR2 P41597 2/20 0.42
MCL1 Q07820 1/20 0.42
BCL2A1 Q16548 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
SCHEMBL3558121 0.92 MEN1 (0.59) CACNA1HCACNA1BMEN1GAAKMT2A
SCHEMBL3559755 0.91 CACNA1H (0.61) CACNA1HCACNA1BMEN1KMT2APKM
SCHEMBL3554984 0.86 PKM (0.56) CACNA1HCACNA1BGAAPKMHTT
SCHEMBL3554494 0.86 PKM (0.56) CACNA1HCACNA1BMEN1KMT2APKM
SCHEMBL3561856 0.85 PSEN1 (0.63) CACNA1HCACNA1BMEN1GAAKMT2A
SCHEMBL3554542 0.84 CACNA1H (0.48) CACNA1HCACNA1BGAAPKMHTT
SCHEMBL3561665 0.84 CACNA1H (0.58) CACNA1HCACNA1BMEN1KMT2APKM
SCHEMBL3563709 0.82 MEN1 (0.57) MEN1KMT2APKMMCL1RAD52
SCHEMBL3553979 0.82 PGR (0.48) CACNA1HCACNA1BMEN1KMT2APKM
SCHEMBL3561131 0.82 POLB (0.51) CACNA1HCACNA1BMEN1KMT2APKM

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 4 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
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

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 CACNA1H 2058/4885CACNA1B 1921/4885MEN1 2548/4885

“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.