SCHEMBL3560868

SCHEMBL3560868

O=C(O)c1ccc(CCc2ccccc2NCCCCS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
SLC16A3 O15427 5/20 0.52
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGER2 P43116 2/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40

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 0.99 HDAC1 (0.52) HDAC1HDAC8SLC16A3HSD17B10TSHR
SCHEMBL3561599 0.93 SLC16A3 (0.50) HDAC1HDAC8SLC16A3HSD17B10TSHR
SCHEMBL3552967 0.92 SLC16A3 (0.49) HDAC1HDAC8SLC16A3HSD17B10TSHR
SCHEMBL3557956 0.92 SLC16A3 (0.49) HDAC1HDAC8SLC16A3ALDH1A1
SCHEMBL3556567 0.92 SLC16A3 (0.51) HDAC1HDAC8SLC16A3HSD17B10TSHR
SCHEMBL3553935 0.92 SLC16A3 (0.49) HDAC1HDAC8SLC16A3HSD17B10TSHR
SCHEMBL3560802 0.90 SLC16A3 (0.48) HDAC1HDAC8SLC16A3CA12CA2
SCHEMBL3563445 0.89 SLC16A3 (0.47) HDAC1HDAC8SLC16A3HDAC3HDAC2
SCHEMBL3557112 0.87 SLC16A3 (0.48) HDAC1HDAC8SLC16A3TSHRHDAC3
SCHEMBL3556264 0.87 SLC16A3 (0.45) HDAC1HDAC8SLC16A3HSD17B10TSHR

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

“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.