SCHEMBL3555112

SCHEMBL3555112

O=C(O)c1ccc(CCc2ccccc2NCCCCCCCS(=O)(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.47
PLK1 P53350 2/20 0.40
TAS2R14 Q9NYV8 2/20 0.39
LPL P06858 1/20 0.39
LIPC P11150 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PTGER4 P35408 2/20 0.36
PTGER2 P43116 2/20 0.36

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
SCHEMBL3553582 0.90 SLC16A3 (0.49) SLC16A3PLK1TAS2R14LPLLIPC
SCHEMBL3555272 0.86 HDAC1 (0.52) SLC16A3TAS2R14AKR1C3ALDH1A1POLB
SCHEMBL3556567 0.86 SLC16A3 (0.51) SLC16A3TAS2R14HSD17B10HDAC1HDAC8
SCHEMBL3563445 0.85 SLC16A3 (0.47) SLC16A3TAS2R14AKR1C3HDAC1HDAC8
SCHEMBL3560868 0.85 HDAC1 (0.53) SLC16A3TAS2R14AKR1C3ALDH1A1POLB
SCHEMBL3558213 0.85 SLC16A3 (0.44) SLC16A3TAS2R14POLBHDAC1HDAC8
SCHEMBL3553935 0.82 SLC16A3 (0.49) SLC16A3PLK1TAS2R14PLK3HSD17B10
SCHEMBL3552967 0.82 SLC16A3 (0.49) SLC16A3TAS2R14AKR1C3ALDH1A1POLB
SCHEMBL3557956 0.82 SLC16A3 (0.49) SLC16A3PLK1PLK3ALDH1A1HDAC1
SCHEMBL3554956 0.81 SLC16A3 (0.56) SLC16A3ALDH1A1HDAC1HDAC8PTGER4

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 425/4885PLK1 4876/4885TAS2R14 3203/4885

“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.