SCHEMBL3560872

SCHEMBL3560872

CCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.50
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
RARB P10826 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
METAP2 P50579 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37

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
SCHEMBL3561601 0.94 SLC16A3 (0.49) SLC16A3HDAC3HDAC1NCOR2TSHR
SCHEMBL3555276 0.92 SLC16A3 (0.47) SLC16A3RARBPLK1PLK3
SCHEMBL3560804 0.90 SLC16A3 (0.46) SLC16A3
SCHEMBL3557115 0.90 SLC16A3 (0.48) SLC16A3HDAC3HDAC1NCOR2RARB
SCHEMBL3557951 0.88 SLC16A3 (0.48) SLC16A3RARBPLK1PLK3
SCHEMBL3557890 0.88 SLC16A3 (0.46) SLC16A3PLK1
SCHEMBL3553932 0.86 SLC16A3 (0.46) SLC16A3RARBPLK1PLK3
SCHEMBL3552964 0.85 SLC16A3 (0.46) SLC16A3RARBTAS2R14PLK1PLK3
SCHEMBL3556564 0.85 SLC16A3 (0.47) SLC16A3HDAC3NCOR2RARBTAS2R14
SCHEMBL3556266 0.85 SLC16A3 (0.42) SLC16A3HDAC3HDAC1NCOR2METAP2

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 425/4885HDAC3 3383/4885HDAC1 1894/4885

“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.