SCHEMBL3555871

SCHEMBL3555871

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HTR6 P50406 5/20 0.59
LIMK2 P53671 4/20 0.54
LIMK1 P53667 2/20 0.54
SLC16A3 O15427 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
KMT2A Q03164 2/20 0.51
IKBKB O14920 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL3555628 0.96 HTR6 (0.65) POLBHTR6LIMK2LIMK1SLC16A3
SCHEMBL3556294 0.94 SLC16A3 (0.61) POLBHTR6LIMK2SLC16A3KMT2A
SCHEMBL3554836 0.94 POLB (0.64) POLBHTR6LIMK2LIMK1SLC16A3
SCHEMBL3553771 0.94 CA12 (0.61) POLBHTR6LIMK2LIMK1CA12
SCHEMBL3556021 0.94 KDM1A (0.59) POLBHTR6LIMK2LIMK1CA12
SCHEMBL3559499 0.94 MAPT (0.60) POLBHTR6LIMK2LIMK1KMT2A
SCHEMBL3561244 0.94 ALDH1A1 (0.57) POLBHTR6LIMK2LIMK1KMT2A
SCHEMBL3558114 0.93 POLB (0.67) POLBHTR6SLC16A3CA12CA1
SCHEMBL3556538 0.92 METAP2 (0.56) POLBHTR6LIMK2LIMK1
SCHEMBL3561566 0.91 CYP19A1 (0.61) POLBHTR6LIMK2KMT2AMEN1

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 POLB 3962/4885HTR6 2387/4885LIMK2 3634/4885

“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.