SCHEMBL3556582

SCHEMBL3556582

CCCCS(=O)(=O)Nc1ccc(OCCOc2ccccc2CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.56
PPARD Q03181 4/20 0.49
LTB4R Q15722 3/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DHFR P00374 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3560769 0.91 AR (0.52) ARPPARDLTB4RLTB4R2L3MBTL1
SCHEMBL3558216 0.90 AR (0.58) ARPPARDCA12CA1CA2
SCHEMBL3551606 0.88 SMN1; SMN2 (0.58) PPARDLTB4RLTB4R2LMNASMN1; SMN2
SCHEMBL3555186 0.85 NPC1 (0.51) ARPPARDLTB4RLTB4R2NPC1
SCHEMBL3554403 0.84 TDP1 (0.60) L3MBTL1LMNASMN1; SMN2POLBTDP1
SCHEMBL3555020 0.83 AR (0.61) ARCA12CA1CA2CA4
SCHEMBL3554982 0.82 TDP1 (0.59) ARLMNASMN1; SMN2POLBTDP1
SCHEMBL3556702 0.81 TDP1 (0.62) ARPPARDL3MBTL1LMNASMN1; SMN2
SCHEMBL8072582 0.81 LTB4R (0.64) PPARDLTB4RLTB4R2DHFRLMNA
SCHEMBL3564064 0.80 TDP1 (0.47) PPARDLTB4RLTB4R2DHFRPOLB

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 AR 3412/4885PPARD 259/4885LTB4R 122/4885

“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.