SCHEMBL3556492

SCHEMBL3556492

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 3/20 0.46
BRD4 O60885 1/20 0.46
ACLY P53396 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP19A1 P11511 1/20 0.45
HTR6 P50406 1/20 0.45
PGR P06401 1/20 0.45
SLC16A3 O15427 2/20 0.44
AR P10275 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
SCHEMBL3560661 0.91 HPGD (0.53) HPGDNPC1ALDH1A1KMT2ABRD4
SCHEMBL3560317 0.89 HPGD (0.69) HPGDALDH1A1HSD17B10TSHRKMT2A
SCHEMBL3555543 0.88 HPGD (0.50) HPGDALDH1A1HTR6
SCHEMBL3557393 0.87 HPGD (0.59) HPGDHSD17B10KMT2AHDAC1ALOX15
SCHEMBL6797222 0.85 HPGD (0.58) HPGDNPC1ALDH1A1HSD17B10KMT2A
SCHEMBL3555628 0.84 HTR6 (0.65) KMT2AHDAC1HTR6SLC16A3
SCHEMBL3559365 0.84 ALDH1A1 (0.52) HPGDALDH1A1KMT2AHTR6
SCHEMBL1650346 0.83 HPGD (0.77) HPGDALDH1A1HSD17B10TSHRKMT2A
SCHEMBL3555871 0.83 POLB (0.60) KMT2AHTR6SLC16A3
SCHEMBL3552764 0.83 RARB (0.47) HPGDALDH1A1KMT2AAR

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 389/4885NPC1 2684/4885ALDH1A1 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.