SCHEMBL3560693

SCHEMBL3560693

COc1cc(C)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
NMT1 P30419 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
AVPR1B P47901 2/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MGAT2 Q10469 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL3560597 0.91 NMT1 (0.45) F2NMT1POLBGAATSHR
SCHEMBL3564064 0.89 TDP1 (0.47) POLBTDP1PPARDPPARGPPARA
SCHEMBL3554396 0.88 ALDH1A1 (0.49) POLBGAATSHRTDP1PPARD
SCHEMBL3559421 0.85 ALDH1A1 (0.49) F2NMT1POLBGAATSHR
SCHEMBL3554890 0.83 L3MBTL1 (0.59) POLBGAATSHRTNFNOD2
SCHEMBL3560273 0.83 CA12 (0.56) POLBTDP1MGAT2ALDH1A1
SCHEMBL3558946 0.82 KEAP1 (0.58) POLBGAATDP1MGAT2ALDH1A1
SCHEMBL3555623 0.82 WDR5 (0.52) F2NMT1POLBGAATSHR
SCHEMBL3561094 0.81 PGR (0.57) POLBTDP1MGAT2ALDH1A1
SCHEMBL3558042 0.81 POLB (0.45) POLBGAATSHRTDP1PPARD

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 F2 608/4885NMT1 1573/4885POLB 3962/4885

“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.