SCHEMBL3563266

SCHEMBL3563266

COc1cc(C)c(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
SLC16A3 O15427 1/20 0.48
FABP4 P15090 3/20 0.47
NMT1 P30419 1/20 0.46
PFKFB4 Q16877 1/20 0.46
AVPR1B P47901 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPC1 O15118 1/20 0.44
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLG P00747 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
SCHEMBL3551155 0.86 HTR6 (0.46) LMNAMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL3558811 0.84 MAPT (0.53) LMNAHTTMEN1TSHRKMT2A
SCHEMBL3563355 0.83 SLC16A3 (0.61) F2SLC16A3FABP4NMT1AVPR1B
SCHEMBL3567099 0.81 CA12 (0.59) FABP4LMNAHTTMEN1TSHR
SCHEMBL3555109 0.80 SLC16A3 (0.57) F2SLC16A3FABP4NMT1AVPR1B
SCHEMBL3558720 0.79 L3MBTL1 (0.61) FABP4LMNAUSP2CPT1ACPT1B
SCHEMBL3555623 0.78 WDR5 (0.52) F2FABP4NMT1TSHR
SCHEMBL3559952 0.78 ALDH1A1 (0.51) SLC16A3PFKFB4MEN1KMT2A
SCHEMBL3561566 0.78 CYP19A1 (0.61) LMNAHTTMEN1TSHRKMT2A
SCHEMBL16509566 0.78 NMT1 (0.62) F2NMT1AVPR1BLMNAHTT

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 608/4885SLC16A3 425/4885FABP4 251/4885

“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.