SCHEMBL3553693

SCHEMBL3553693

COc1cc(C)c(S(=O)(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.54
NMT1 P30419 1/20 0.53
HSD17B10 Q99714 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
RAD52 P43351 1/20 0.47
F2 P00734 1/20 0.44
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FABP4 P15090 1/20 0.43
AVPR1B P47901 1/20 0.43
WDR5 P61964 1/20 0.43

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
SCHEMBL13117330 0.87 SLC16A3 (0.54) SLC16A3HSD17B10ALDH1A1HPGDMEN1
SCHEMBL3554524 0.85 SLC16A3 (0.58) SLC16A3HSD17B10ALDH1A1HPGDMEN1
SCHEMBL3554928 0.85 SLC16A3 (0.70) SLC16A3NMT1RAD52F2FABP4
SCHEMBL3555109 0.85 SLC16A3 (0.57) SLC16A3NMT1HSD17B10MEN1KMT2A
SCHEMBL3555027 0.84 SLC16A3 (0.58) SLC16A3HSD17B10ALDH1A1HPGDMEN1
SCHEMBL3563355 0.82 SLC16A3 (0.61) SLC16A3NMT1MEN1KMT2ARAD52
SCHEMBL3555037 0.82 ALDH1A1 (0.57) SLC16A3HSD17B10ALDH1A1HPGDMEN1
SCHEMBL3557083 0.81 ALDH1A1 (0.55) SLC16A3HSD17B10ALDH1A1HPGDMEN1
SCHEMBL3559521 0.81 SMN1; SMN2 (0.56) SLC16A3HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3562395 0.80 MEN1 (0.74) SLC16A3HSD17B10ALDH1A1HPGDMEN1

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 8 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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
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
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 SLC16A3 425/4885NMT1 1573/4885HSD17B10 236/4885

“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.