SCHEMBL3554416

SCHEMBL3554416

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 4/20 0.51
ADRB2 P07550 3/20 0.51
PGR P06401 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AR P10275 1/20 0.50
HDAC1 Q13547 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ACLY P53396 1/20 0.48
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL3558816 0.88 HPGD (0.54) HPGDALDH1A1ADRB2ARLMNA
SCHEMBL3563989 0.87 ACLY (0.49) HPGDKMT2AALDH1A1ADRB2ALOX15
SCHEMBL3555662 0.84 KDM4E (0.51) HPGDALDH1A1ADRB2PGRAR
SCHEMBL3555896 0.84 ACLY (0.56) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL3560317 0.83 HPGD (0.69) HPGDKMT2AALDH1A1ADRB2PGR
SCHEMBL3556577 0.83 HDAC1 (0.60) KMT2AALDH1A1HDAC1KDM4EMEN1
SCHEMBL3554751 0.83 AR (0.52) HPGDARLMNASMN1; SMN2KDM4E
SCHEMBL3557393 0.82 HPGD (0.59) HPGDKMT2APGRALOX15HSD17B10
SCHEMBL3559259 0.81 LMNA (0.48) KMT2AALDH1A1ADRB2HDAC1LMNA
SCHEMBL166927 0.80 FOLH1 (0.66) KMT2AALDH1A1ADRB2ALOX15LMNA

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 HPGD 389/4885KMT2A 4045/4885ALDH1A1 61/4885

“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.