SCHEMBL3558027

SCHEMBL3558027

Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCc1ccc(C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.81
RAD52 P43351 1/20 0.54
HDAC3 O15379 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HDAC2 Q92769 1/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTK2B Q14289 1/20 0.43
TRIM24 O15164 1/20 0.43
BRD1 O95696 1/20 0.43
BRPF1 P55201 1/20 0.43
MEP1B Q16820 1/20 0.43
HDAC1 Q13547 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
SCHEMBL3563288 0.95 SLC16A3 (0.74) SLC16A3RAD52HDAC3NCOR2HDAC2
SCHEMBL3553499 0.90 SLC16A3 (1.00) SLC16A3RAD52HDAC3NCOR2HDAC2
SCHEMBL3560891 0.87 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC2SMN1; SMN2
SCHEMBL3566257 0.86 SLC16A3 (0.76) SLC16A3RAD52MEN1KMT2AALDH1A1
SCHEMBL3561507 0.85 SLC16A3 (0.91) SLC16A3RAD52ALDH1A1SMN1; SMN2LMNA
SCHEMBL3564236 0.85 SLC16A3 (0.59) SLC16A3ALDH1A1LMNAMEP1B
SCHEMBL3557287 0.83 SLC16A3 (0.64) SLC16A3RAD52MEN1KMT2AALDH1A1
SCHEMBL3553938 0.83 SLC16A3 (0.71) SLC16A3RAD52MEN1KMT2AALDH1A1
SCHEMBL3553224 0.82 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC2SMN1; SMN2
SCHEMBL3559534 0.82 SLC16A3 (0.64) SLC16A3MEN1KMT2AALDH1A1SMN1; 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 425/4885RAD52 4737/4885HDAC3 3383/4885

“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.