SCHEMBL3554736

SCHEMBL3554736

O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 11/20 0.68
BCL2 P10415 1/20 0.55
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55
BCL2A1 Q16548 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
AKR1C3 P42330 1/20 0.49
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3558948 0.97 SLC16A3 (0.67) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3563444 0.95 SLC16A3 (0.74) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3554581 0.86 KDM4E (0.54) SLC16A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL3561657 0.86 SLC16A3 (0.88) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3562788 0.85 SLC16A3 (0.88) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3555224 0.84 ACLY (0.55) SLC16A3MCL1BCL2A1MEN1KMT2A
SCHEMBL3558585 0.84 SLC16A3 (0.58) SLC16A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL7348029 0.84 MEN1 (0.70) SLC16A3BCL2BCL2L1MCL1BCL2A1
SCHEMBL3555619 0.83 SLC16A3 (0.65) SLC16A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL3563326 0.83 CCR2 (0.60) SLC16A3MEN1KMT2AALDH1A1KDM4E

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 8 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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
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
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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.