SCHEMBL3554396

SCHEMBL3554396

Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 3/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SQSTM1 Q13501 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
LTB4R Q15722 1/20 0.40

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
SCHEMBL3562910 0.90 ALDH1A1 (0.51) ALDH1A1MAPTRAB9APOLBTSHR
SCHEMBL3564064 0.89 TDP1 (0.47) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL3558042 0.89 POLB (0.45) ALDH1A1MAPTPOLBTSHRGAA
SCHEMBL3560693 0.88 F2 (0.45) ALDH1A1POLBTSHRGAATDP1
SCHEMBL3557130 0.86 ALDH1A1 (0.58) ALDH1A1MAPTPOLBTSHRGFER
SCHEMBL4778235 0.85 TDP1 (0.49) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL3554982 0.84 TDP1 (0.59) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL3554255 0.84 TDP1 (0.47) POLBTDP1PPARDPPARGPPARA
SCHEMBL3558430 0.84 POLB (0.51) ALDH1A1MAPTPOLBTSHRGAA
SCHEMBL3552567 0.84 ALDH1A1 (0.54) ALDH1A1MAPTRAB9APOLBTSHR

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 61/4885MAPT 4130/4885RAB9A 4528/4885

“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.