SCHEMBL3553957

SCHEMBL3553957

N#Cc1ccccc1S(=O)(=O)Nc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
SLC22A12 Q96S37 2/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
FABP1 P07148 1/20 0.46
AR P10275 1/20 0.46
FABP4 P15090 1/20 0.46
SLC16A3 O15427 1/20 0.44
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
HSPE1 P61604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 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
SCHEMBL3563311 0.87 ALDH1A1 (0.53) MEN1KMT2ASLC22A12FABP1AR
SCHEMBL3558200 0.87 SLC16A3 (0.48) PKMHRH2HRH1SLC16A3
SCHEMBL3555752 0.85 TSHR (0.56) TSHRKMT2ASLC22A12FABP4SLC16A3
SCHEMBL5165822 0.84 LIMK2 (0.45) MEN1KMT2AGPR55ARSLC16A3
SCHEMBL3561911 0.83 SLC22A12 (0.44) SLC22A12HRH2HRH1FABP1AR
SCHEMBL3559418 0.83 TSHR (0.79) TSHRPKMMEN1KMT2AGPR55
SCHEMBL3555144 0.82 PTK2B (0.57) TSHRPKMMEN1KMT2AGPR55
SCHEMBL3563809 0.80 MEN1 (0.62) PKMMEN1KMT2AGPR55AR
SCHEMBL3559455 0.80 SLC22A12 (0.55) TSHRPKMMEN1KMT2AGPR55
SCHEMBL3562548 0.79 AR (0.69) TSHRPKMMEN1KMT2AGPR55

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 3483/4885PKM 990/4885MEN1 2548/4885

“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.