SCHEMBL3553044

SCHEMBL3553044

O=C(O)c1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MMP2 P08253 2/20 0.53
MMP13 P45452 2/20 0.53
KMT2A Q03164 6/20 0.52
PTK2B Q14289 1/20 0.52
MEN1 O00255 5/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 2/20 0.46
FABP1 P07148 1/20 0.46
PKM P14618 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL3557863 0.91 ALDH1A1 (0.56) ALDH1A1MMP2MMP13KMT2APTK2B
SCHEMBL3558986 0.89 ALDH1A1 (0.63) ALDH1A1KMT2APTK2BMEN1MAPT
SCHEMBL3554888 0.88 ALDH1A1 (0.53) ALDH1A1MMP2MMP13KMT2APTK2B
SCHEMBL3563311 0.88 ALDH1A1 (0.53) ALDH1A1MMP2MMP13KMT2APTK2B
SCHEMBL3556754 0.88 ALDH1A1 (0.57) ALDH1A1MMP2MMP13KMT2APTK2B
SCHEMBL3555559 0.87 AR (0.64) ALDH1A1MMP2MMP13KMT2APTK2B
SCHEMBL3555693 0.86 ALDH1A1 (0.53) ALDH1A1
SCHEMBL3555544 0.85 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BMEN1MAPT
SCHEMBL3562211 0.85 AR (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL3553617 0.85 MEN1 (0.65) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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 ALDH1A1 61/4885MMP2 1720/4885MMP13 1557/4885

“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.