SCHEMBL3563330

SCHEMBL3563330

O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.55
BCL2A1 Q16548 2/20 0.55
GAA P10253 2/20 0.54
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
BRAF P15056 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
BCL2 P10415 1/20 0.46
BID P55957 1/20 0.46
BCL2L1 Q07817 1/20 0.46

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
SCHEMBL3560155 0.94 MCL1 (0.53) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3557796 0.84 SLC16A3 (0.61) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3557405 0.84 LMNA (0.58) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3560301 0.84 SLC16A3 (0.66) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3561772 0.82 ALDH1A1 (0.62) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3556581 0.81 SLC16A3 (0.58) MCL1BCL2A1GAAALDH1A1MEN1
SCHEMBL3556477 0.80 SLC16A3 (0.56) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3553780 0.80 SLC16A3 (0.59) MCL1BCL2A1GAAALDH1A1HTT
SCHEMBL3553027 0.80 MEN1 (0.45) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL3556126 0.79 MEN1 (0.47) GAAALDH1A1HTTMEN1KMT2A

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 4304/4885BCL2A1 465/4885GAA 1191/4885

“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.