SCHEMBL3554747

SCHEMBL3554747

O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.54
KDM4E B2RXH2 1/20 0.51
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR2 P41597 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 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
SCHEMBL3566278 0.97 SLC16A3 (0.53) SLC16A3KDM4EFABP4FABP5ALDH1A1
SCHEMBL3560058 0.97 SLC16A3 (0.58) SLC16A3KDM4EFABP4FABP5ALDH1A1
SCHEMBL3566056 0.88 TSHR (0.55) SLC16A3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3553938 0.87 SLC16A3 (0.71) SLC16A3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3561745 0.86 SLC16A3 (0.71) SLC16A3KDM4EPTK2BSMN1; SMN2CCR2
SCHEMBL3558218 0.86 SLC16A3 (0.57) SLC16A3KDM4EFABP4KCNH2PTK2B
SCHEMBL3555619 0.85 SLC16A3 (0.65) SLC16A3KDM4EALDH1A1HSD17B10CCR2
SCHEMBL3557144 0.85 TSHR (0.54) SLC16A3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3558537 0.84 TSHR (0.56) SLC16A3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3556385 0.84 SLC16A3 (0.56) SLC16A3KDM4EALDH1A1HSD17B10PTK2B

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 425/4885KDM4E 1045/4885FABP4 251/4885

“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.