SCHEMBL3554418

SCHEMBL3554418

CS(=O)(=O)Nc1ccccc1CCc1ccccc1C(=O)O.c1cc2ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 6/20 0.49
SLC16A3 O15427 6/20 0.48
KDM4E B2RXH2 5/20 0.48
RCE1 Q9Y256 1/20 0.48
FOLH1 Q04609 1/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CLCN2 P51788 1/20 0.43
PKM P14618 1/20 0.43
CCR2 P41597 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
Benzene SCHEMBL3555900 0.96 KMT2A (0.55) MCL1KMT2AALDH1A1SLC16A3KDM4E
SCHEMBL3559564 0.96 KMT2A (0.55) MCL1KMT2AALDH1A1SLC16A3KDM4E
SCHEMBL3563991 0.91 MCL1 (0.49) MCL1KMT2AALDH1A1SLC16A3KDM4E
SCHEMBL3558222 0.89 SLC16A3 (0.61) MCL1KMT2AALDH1A1SLC16A3KDM4E
Benzene SCHEMBL3558670 0.89 SLC16A3 (0.61) MCL1KMT2AALDH1A1SLC16A3KDM4E
SCHEMBL3557494 0.84 ACLY (0.58) MCL1KMT2AALDH1A1SLC16A3KDM4E
SCHEMBL1835415 0.84 KMT2A (0.66) MCL1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3553627 0.83 SLC16A3 (0.50) SLC16A3FOLH1HPGDCLCN2
SCHEMBL3560319 0.83 SLC16A3 (0.60) KMT2AALDH1A1SLC16A3
SCHEMBL3557394 0.82 SLC16A3 (0.64) MCL1KMT2ASLC16A3CA1CA2

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 MCL1 4304/4885KMT2A 4045/4885ALDH1A1 61/4885

“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.