SCHEMBL3554589

SCHEMBL3554589

Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)c(C)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.45
HDAC8 Q9BY41 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC4 P56524 1/20 0.43
KDR P35968 1/20 0.42
HTR6 P50406 1/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
FOLH1 Q04609 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL3555038 0.93 HDAC1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3557726 0.87 GAA (0.52) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3559539 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3556577 0.85 HDAC1 (0.60) ALDH1A1KDM4EMEN1KMT2AHDAC8
SCHEMBL3555122 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL3551731 0.84 PKM (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3554591 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3555662 0.83 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL3558816 0.82 HPGD (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL3557166 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AHDAC8

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 61/4885KDM4E 1045/4885MEN1 2548/4885

“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.