SCHEMBL3566896

SCHEMBL3566896

O=C(O)c1ccc(CCCc2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.61
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC22A12 Q96S37 3/20 0.51
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PKLR P30613 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALKBH2 Q6NS38 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
SCHEMBL3553632 0.94 SLC16A3 (0.68) SLC16A3MEN1ALDH1A1KMT2ASLC22A12
SCHEMBL3557901 0.89 SLC16A3 (0.64) SLC16A3MEN1ALDH1A1KMT2ASLC22A12
SCHEMBL3556525 0.85 SLC16A3 (0.64) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3560873 0.85 MEN1 (0.73) SLC16A3MEN1ALDH1A1KMT2ASLC22A12
SCHEMBL3559725 0.84 SLC16A3 (0.58) SLC16A3MEN1KMT2ASLC22A12SLC40A1
SCHEMBL3563699 0.84 SLC16A3 (0.60) SLC16A3MEN1ALDH1A1KMT2AHDAC1
SCHEMBL3562163 0.83 SLC16A3 (0.71) SLC16A3MEN1ALDH1A1KMT2ASLC22A12
SCHEMBL3557237 0.83 SLC16A3 (0.59) SLC16A3MEN1KMT2APTGER1PTGER4
SCHEMBL3555598 0.83 PKLR (0.58) SLC16A3MEN1ALDH1A1KMT2ASLC22A12
SCHEMBL3557081 0.83 SLC16A3 (0.66) SLC16A3ALDH1A1HDAC1HDAC8PTGER1

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 SLC16A3 425/4885MEN1 2548/4885ALDH1A1 61/4885

“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.