SCHEMBL3554962

SCHEMBL3554962

Cc1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
AKR1C3 P42330 1/20 0.59
KDM1A O60341 2/20 0.56
GFER P55789 1/20 0.56
LIMK2 P53671 1/20 0.56
SLC16A3 O15427 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.53
TCF4 P15884 1/20 0.53
CTNNB1 P35222 1/20 0.53
MAOA P21397 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
AR P10275 1/20 0.52

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
SCHEMBL3562390 0.92 POLB (0.62) ALDH1A1AKR1C3KDM1ALIMK2SLC16A3
SCHEMBL3556522 0.91 SLC16A3 (0.58) ALDH1A1LIMK2SLC16A3MEN1KMT2A
SCHEMBL3555180 0.91 ALDH1A1 (0.57) ALDH1A1LIMK2SLC16A3MEN1KMT2A
SCHEMBL3555334 0.91 KAT6A (0.56) ALDH1A1SLC16A3MEN1KMT2APOLB
SCHEMBL3552742 0.90 MEN1 (0.63) AKR1C3SLC16A3MEN1KMT2APOLB
SCHEMBL3561276 0.89 AKR1C3 (0.63) ALDH1A1AKR1C3GFERSLC16A3MEN1
SCHEMBL3554909 0.89 CA12 (0.60) ALDH1A1SLC16A3MEN1KMT2APOLB
SCHEMBL3555360 0.88 FFAR1 (0.59) ALDH1A1LIMK2SLC16A3MEN1KMT2A
SCHEMBL3553517 0.88 MEN1 (0.57) ALDH1A1GFERSLC16A3MEN1KMT2A
SCHEMBL3562814 0.88 SLC16A3 (0.71) ALDH1A1LIMK2SLC16A3MEN1KMT2A

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 ALDH1A1 61/4885AKR1C3 23/4885KDM1A 800/4885

“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.