SCHEMBL3557321

SCHEMBL3557321

COc1cccc(C(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.71
ABCB1 P08183 2/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PYGM P11217 1/20 0.57
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.54
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL3553212 0.88 SLC16A3 (0.77) SLC16A3MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3559571 0.85 SLC16A3 (0.83) SLC16A3MEN1KMT2AKCNK3KCNK9
SCHEMBL14075227 0.84 MEN1 (0.78) MEN1KMT2APYGMRAB9ASMN1; SMN2
SCHEMBL3558403 0.83 SLC16A3 (1.00) SLC16A3MEN1KMT2APYGMKCNK3
SCHEMBL3559506 0.82 SLC16A3 (1.00) SLC16A3RAB9ANPC1
SCHEMBL29278998 0.82 ABCB1 (0.66) SLC16A3ABCB1MEN1KMT2ARAB9A
SCHEMBL3556329 0.79 SLC16A3 (1.00) SLC16A3
SCHEMBL11591262 0.79 MEN1 (0.70) ABCB1MEN1KMT2APYGMRAB9A
SCHEMBL3557703 0.79 KEAP1 (0.53) SLC16A3MEN1KMT2A
SCHEMBL3554633 0.79 SLC16A3 (1.00) SLC16A3MEN1KMT2ARAB9ASMN1; SMN2

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 425/4885ABCB1 182/4885MEN1 2548/4885

“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.