SCHEMBL3550679

SCHEMBL3550679

CCCCOc1ccc(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.57
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
NR1H4 Q96RI1 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
LIMK2 P53671 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
GHSR Q92847 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CACNA1B Q00975 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL3554315 0.93 WDR5 (0.64) WDR5TDP1SMN1; SMN2LMNANR1H4
SCHEMBL3556538 0.91 METAP2 (0.56) WDR5LIMK2GHSRPOLBLIMK1
SCHEMBL3554243 0.90 MEN1 (0.60) WDR5TDP1SMN1; SMN2LMNANR1H4
SCHEMBL3554413 0.89 SMN1; SMN2 (0.65) WDR5TDP1SMN1; SMN2LMNACYP1A2
SCHEMBL3561566 0.87 CYP19A1 (0.61) SMN1; SMN2LMNATSHRHTTLIMK2
SCHEMBL3555871 0.87 POLB (0.60) LIMK2MAPTMEN1KMT2APOLB
SCHEMBL3561244 0.86 ALDH1A1 (0.57) SMN1; SMN2HTTLIMK2MAPTMEN1
SCHEMBL3565124 0.85 WDR5 (0.52) WDR5SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL3553788 0.85 POLB (0.57) WDR5LIMK2GHSRPOLBLIMK1
SCHEMBL3551452 0.85 SMN1; SMN2 (0.63) WDR5TDP1SMN1; SMN2LMNACYP1A2

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 WDR5 1795/4885TDP1 2267/4885SMN1; SMN2 4522/4885

“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.