SCHEMBL3554836

SCHEMBL3554836

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
PFKFB3 Q16875 1/20 0.57
HTR6 P50406 5/20 0.56
PHGDH O43175 3/20 0.53
LIMK1 P53667 2/20 0.52
LIMK2 P53671 2/20 0.52
SLC16A3 O15427 2/20 0.51
SERPINE1 P05121 2/20 0.51
MCL1 Q07820 1/20 0.50
BCL2A1 Q16548 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL3555871 0.94 POLB (0.60) POLBHTR6LIMK1LIMK2SLC16A3
SCHEMBL3555628 0.93 HTR6 (0.65) POLBPFKFB3HTR6LIMK1LIMK2
SCHEMBL3564982 0.92 POLB (0.74) POLBPFKFB3HTR6PHGDHSLC16A3
SCHEMBL3556021 0.88 KDM1A (0.59) POLBHTR6LIMK1LIMK2
SCHEMBL3559499 0.88 MAPT (0.60) POLBHTR6LIMK1LIMK2
SCHEMBL3553771 0.88 CA12 (0.61) POLBHTR6LIMK1LIMK2
SCHEMBL3556294 0.88 SLC16A3 (0.61) POLBHTR6LIMK2SLC16A3
SCHEMBL3561244 0.88 ALDH1A1 (0.57) POLBHTR6LIMK1LIMK2
SCHEMBL3558114 0.88 POLB (0.67) POLBPFKFB3HTR6SLC16A3
SCHEMBL3556538 0.86 METAP2 (0.56) POLBHTR6LIMK1LIMK2KEAP1

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 3962/4885PFKFB3 1209/4885HTR6 2387/4885

“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.