SCHEMBL3553499

SCHEMBL3553499

Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCc1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 1.00
RAD52 P43351 1/20 0.53
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
IDH1 O75874 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
PTK2B Q14289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3561507 0.95 SLC16A3 (0.91) SLC16A3RAD52LMNAMRGPRX4IDH1
SCHEMBL3558027 0.90 SLC16A3 (0.81) SLC16A3RAD52LMNAHDAC3HDAC2
SCHEMBL3552762 0.88 SLC16A3 (0.78) SLC16A3LMNAHDAC3HDAC2NCOR2
SCHEMBL3566257 0.86 SLC16A3 (0.76) SLC16A3RAD52ALDH1A1HPGDHSD17B10
SCHEMBL3556263 0.85 SLC16A3 (0.74) SLC16A3LMNAMRGPRX4IDH1ALDH1A1
SCHEMBL3563288 0.85 SLC16A3 (0.74) SLC16A3RAD52LMNAIDH1HDAC3
SCHEMBL3554464 0.85 SLC16A3 (0.73) SLC16A3LMNAMRGPRX4IDH1ALDH1A1
SCHEMBL3561340 0.84 SLC16A3 (1.00) SLC16A3HDAC3HDAC2NCOR2PTK2B
SCHEMBL3564618 0.84 SLC16A3 (0.75) SLC16A3MRGPRX4PTK2BSMN1; SMN2
SCHEMBL3554340 0.84 SLC16A3 (0.72) SLC16A3ALDH1A1HPGDHSD17B10SMN1; 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 4737/4885LMNA 2120/4885

“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.