SCHEMBL3559418

SCHEMBL3559418

O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.79
PGR P06401 1/20 0.64
SLC16A3 O15427 4/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
PFKFB3 Q16875 1/20 0.55
FABP4 P15090 1/20 0.55
PKM P14618 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GPR55 Q9Y2T6 1/20 0.52
FABP1 P07148 1/20 0.52
HDAC1 Q13547 1/20 0.51
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
P4HTM Q9NXG6 1/20 0.47

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
SCHEMBL15762086 0.89 TSHR (1.00) TSHRPGRSLC16A3ALDH1A1HTT
SCHEMBL3563478 0.87 SLC16A3 (0.60) TSHRPGRSLC16A3ALDH1A1HTT
SCHEMBL3559856 0.84 TSHR (0.85) TSHRPGRSLC16A3ALDH1A1HTT
SCHEMBL3560607 0.84 EDNRA (0.58) TSHRFABP4HDAC1
SCHEMBL3555144 0.83 PTK2B (0.57) TSHRALDH1A1HTTFABP4PKM
SCHEMBL3555597 0.83 FABP1 (0.74) SLC16A3ALDH1A1HTTPKMMEN1
SCHEMBL3553957 0.83 TSHR (0.53) TSHRSLC16A3FABP4PKMMEN1
SCHEMBL3563809 0.81 MEN1 (0.62) PGRHTTPKMMEN1KMT2A
SCHEMBL3560280 0.81 PGR (0.55) TSHRPGRSLC16A3ALDH1A1HTT
SCHEMBL3559455 0.81 SLC22A12 (0.55) TSHRALDH1A1PKMMEN1KMT2A

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 TSHR 3483/4885PGR 1338/4885SLC16A3 425/4885

“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.