SCHEMBL3556567

SCHEMBL3556567

O=C(O)c1ccc(CCc2ccccc2NCCCCCCCS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.51
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TAS2R14 Q9NYV8 3/20 0.43
HSD11B1 P28845 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGER4 P35408 2/20 0.40
PTGER2 P43116 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER3 P43115 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3555272 0.93 HDAC1 (0.52) SLC16A3HDAC1HDAC8TAS2R14TSHR
SCHEMBL3560868 0.92 HDAC1 (0.53) SLC16A3HDAC1HDAC8TAS2R14TSHR
SCHEMBL3553935 0.90 SLC16A3 (0.49) SLC16A3HDAC1HDAC8TAS2R14TSHR
SCHEMBL3552967 0.90 SLC16A3 (0.49) SLC16A3HDAC1HDAC8TAS2R14HSD11B1
SCHEMBL3557956 0.90 SLC16A3 (0.49) SLC16A3HDAC1HDAC8
SCHEMBL3563445 0.89 SLC16A3 (0.47) SLC16A3HDAC1HDAC8TAS2R14PTGER4
SCHEMBL3561599 0.89 SLC16A3 (0.50) SLC16A3HDAC1HDAC8TAS2R14TSHR
SCHEMBL3558213 0.87 SLC16A3 (0.44) SLC16A3HDAC1HDAC8TAS2R14RAB9A
SCHEMBL3560802 0.86 SLC16A3 (0.48) SLC16A3HDAC1HDAC8
SCHEMBL3555112 0.86 SLC16A3 (0.47) SLC16A3HDAC1HDAC8TAS2R14HSD17B10

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 SLC16A3 425/4885HDAC1 1894/4885HDAC8 2985/4885

“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.