SCHEMBL3566835

SCHEMBL3566835

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
ALPL P05186 3/20 0.48
SLC22A12 Q96S37 3/20 0.46
IDH1 O75874 2/20 0.43
RORC P51449 1/20 0.42
SLC16A3 O15427 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 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
SCHEMBL3561309 0.89 FABP4 (0.48) FABP4FABP5ALPLSLC22A12IDH1
SCHEMBL3556453 0.87 RXRA (0.53) FABP4FABP5ALPLSLC22A12IDH1
SCHEMBL3554971 0.86 MEN1 (0.51) FABP4FABP5ALPLSLC22A12SLC16A3
SCHEMBL3554994 0.84 SLC16A3 (0.50) FABP4FABP5ALPLSLC22A12IDH1
SCHEMBL3550821 0.84 MEN1 (0.60) SLC22A12ALDH1A1MEN1KMT2AMCL1
SCHEMBL3560780 0.83 HDAC1 (0.51) IDH1AVPR2GPR27MEN1KMT2A
SCHEMBL3551918 0.83 MEN1 (0.50) FABP4FABP5ALPLSLC22A12IDH1
SCHEMBL3559119 0.82 PTK2B (0.50) FABP4FABP5SLC16A3ALDH1A1MEN1
SCHEMBL3557128 0.82 MEN1 (0.49) FABP4FABP5ALPLSLC16A3ALDH1A1
SCHEMBL3560779 0.81 SLC16A3 (0.64) ALPLSLC16A3MEN1KMT2ASLC40A1

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 FABP4 251/4885FABP5 799/4885ALPL 3541/4885

“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.