SCHEMBL3553938

SCHEMBL3553938

Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCCc1ccccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.71
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 3/20 0.54
RAD52 P43351 1/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ACLY P53396 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MEP1B Q16820 1/20 0.45
RPA1 P27694 1/20 0.45
GFER P55789 1/20 0.45
TRIM24 O15164 1/20 0.45
BRD1 O95696 1/20 0.45
BRPF1 P55201 1/20 0.45

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
SCHEMBL3566257 0.97 SLC16A3 (0.76) SLC16A3ALDH1A1HSD17B10HPGDRAD52
SCHEMBL3561507 0.87 SLC16A3 (0.91) SLC16A3ALDH1A1RAD52
SCHEMBL3554747 0.87 SLC16A3 (0.54) SLC16A3ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3563288 0.86 SLC16A3 (0.74) SLC16A3ALDH1A1HSD17B10HPGDRAD52
SCHEMBL3566278 0.83 SLC16A3 (0.53) SLC16A3ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3553499 0.83 SLC16A3 (1.00) SLC16A3ALDH1A1HSD17B10HPGDRAD52
SCHEMBL3560058 0.83 SLC16A3 (0.58) SLC16A3ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3558027 0.83 SLC16A3 (0.81) SLC16A3ALDH1A1HSD17B10HPGDRAD52
SCHEMBL3556484 0.83 SLC16A3 (0.63) SLC16A3ALDH1A1MEN1KMT2ARPA1
SCHEMBL3555619 0.83 SLC16A3 (0.65) SLC16A3ALDH1A1HSD17B10KDM4EMEN1

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 425/4885ALDH1A1 61/4885HSD17B10 236/4885

“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.