SCHEMBL3552022

SCHEMBL3552022

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.63
METAP2 P50579 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
PTK2B Q14289 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KAT6A Q92794 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL3556877 0.94 SLC16A3 (0.71) SLC16A3METAP2RAB9ANPC1POLB
SCHEMBL3561670 0.91 SLC16A3 (0.67) SLC16A3METAP2RAB9AKDM4ETSHR
SCHEMBL3553428 0.89 SLC16A3 (0.57) SLC16A3METAP2KDM4EHDAC3HDAC1
SCHEMBL3553876 0.87 SLC16A3 (0.70) SLC16A3RAB9APOLBKMT2AMEN1
SCHEMBL3554625 0.87 SLC16A3 (0.69) SLC16A3METAP2RAB9AKDM4ETSHR
SCHEMBL3557013 0.87 SLC16A3 (0.74) SLC16A3METAP2RAB9AKDM4ETSHR
SCHEMBL3565536 0.86 SLC16A3 (0.68) SLC16A3METAP2RAB9AKDM4ETSHR
SCHEMBL3563748 0.86 SLC16A3 (0.68) SLC16A3METAP2RAB9AKDM4ETSHR
SCHEMBL3558496 0.86 SLC16A3 (0.70) SLC16A3METAP2RAB9AKDM4ETSHR
SCHEMBL3564986 0.85 SLC16A3 (0.76) SLC16A3RAB9AKDM4ETSHRPTK2B

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 425/4885METAP2 2438/4885RAB9A 4528/4885

“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.