SCHEMBL3551758

SCHEMBL3551758

O=C(O)c1ccc(CCCc2ccccc2NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.53
ACLY P53396 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
GAB1 Q13480 1/20 0.40
METAP2 P50579 1/20 0.40
RAB9A P51151 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL3558197 0.94 SLC16A3 (0.60) SLC16A3ACLYMEN1KMT2AGAB1
SCHEMBL3563249 0.90 SLC16A3 (0.56) SLC16A3ACLYMEN1KMT2AGAB1
SCHEMBL3552834 0.87 MEN1 (0.45) SLC16A3ACLYMEN1KMT2AGAB1
SCHEMBL3555166 0.87 SLC16A3 (0.53) SLC16A3MEN1KMT2APTGER1PTGER4
SCHEMBL3561549 0.84 SLC16A3 (0.63) SLC16A3MEN1KMT2AGAB1RAB9A
SCHEMBL3557735 0.84 SLC16A3 (0.45) SLC16A3ACLYMEN1KMT2AGAB1
SCHEMBL3555558 0.83 HDAC1 (0.48) SLC16A3MEN1KMT2AGAB1HDAC1
SCHEMBL3557081 0.83 SLC16A3 (0.66) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3556126 0.83 MEN1 (0.47) SLC16A3ACLYMEN1KMT2AGAB1
SCHEMBL3556477 0.81 SLC16A3 (0.56) SLC16A3MEN1KMT2APTGER1PTGER4

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 425/4885ACLY 586/4885MEN1 2548/4885

“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.