SCHEMBL3554835

SCHEMBL3554835

CS(=O)(=O)Nc1ccccc1OCCOc1ccccc1C(=O)O.c1cc2ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 4/20 0.55
PTK2B Q14289 1/20 0.55
HSD17B10 Q99714 3/20 0.54
CCR2 P41597 2/20 0.52
MCL1 Q07820 2/20 0.49
KDM4E B2RXH2 6/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MRGPRX1 Q96LB2 1/20 0.45
CCR1 P32246 1/20 0.44
WDR5 P61964 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
APAF1 O14727 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 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
SCHEMBL3561818 0.84 PKM (0.54) ALDH1A1HSD17B10SMN1; SMN2LMNATSHR
SCHEMBL3558991 0.82 CCR2 (0.62) ALDH1A1KMT2APTK2BCCR2MCL1
SCHEMBL1835415 0.80 KMT2A (0.66) ALDH1A1KMT2AHSD17B10CCR2MCL1
SCHEMBL3560312 0.80 ALDH1A1 (0.56) ALDH1A1KMT2APTK2BHSD17B10CCR2
SCHEMBL3555544 0.80 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BCCR2HPGD
SCHEMBL3563109 0.80 PKM (0.57) ALDH1A1KMT2AHSD17B10SMN1; SMN2LMNA
Benzene SCHEMBL3553547 0.80 PKM (0.57) ALDH1A1KMT2AHSD17B10SMN1; SMN2LMNA
SCHEMBL2049483 0.77 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BHSD17B10KDM4E
SCHEMBL30211332 0.77 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BHSD17B10KDM4E
SCHEMBL220059 0.75 KMT2A (0.72) ALDH1A1KMT2AHSD17B10CCR2MCL1

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 61/4885KMT2A 4045/4885PTK2B 3187/4885

“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.