SCHEMBL3554361

SCHEMBL3554361

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 13/20 1.00
BCL2 P10415 1/20 0.54
BCL2L1 Q07817 1/20 0.54
MCL1 Q07820 1/20 0.54
BCL2A1 Q16548 1/20 0.54
HDAC3 O15379 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
HDAC1 Q13547 1/20 0.52
AKR1C3 P42330 1/20 0.51
HDAC2 Q92769 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL3562788 0.93 SLC16A3 (0.88) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3556736 0.89 SLC16A3 (1.00) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3553847 0.87 SLC16A3 (0.76) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3563084 0.86 SLC16A3 (0.75) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3563444 0.85 SLC16A3 (0.74) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3557994 0.84 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3555286 0.84 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3567080 0.84 SLC16A3 (0.72) SLC16A3MCL1BCL2A1HDAC3NCOR2
SCHEMBL3564276 0.84 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3556734 0.84 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2

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 SLC16A3 425/4885BCL2 1996/4885BCL2L1 1644/4885

“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.