SCHEMBL3555571

SCHEMBL3555571

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.48
HTR6 P50406 6/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.45
ADRB2 P07550 1/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
PTK2B Q14289 1/20 0.43
AKR1C3 P42330 1/20 0.42
IDH1 O75874 2/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL3554621 0.90 PTK2B (0.50) SLC16A3HTR6ALDH1A1ADRB2PTK2B
SCHEMBL3551731 0.88 PKM (0.53) SLC16A3HTR6PKMALDH1A1ADRB2
SCHEMBL3559539 0.86 ALDH1A1 (0.47) SLC16A3HTR6ALDH1A1ADRB2KEAP1
SCHEMBL3561338 0.86 HTR6 (0.62) SLC16A3HTR6ALDH1A1ADRB2KEAP1
SCHEMBL3556603 0.86 SLC16A3 (0.52) SLC16A3HTR6PKMPTK2BAKR1C3
SCHEMBL3556257 0.85 SLC16A3 (0.67) SLC16A3HTR6ALDH1A1KEAP1NFE2L2
SCHEMBL3556737 0.85 SLC16A3 (0.53) SLC16A3HTR6PTK2BIDH1FABP4
SCHEMBL3556251 0.84 TSHR (0.48) SLC16A3HTR6KEAP1NFE2L2IDH1
SCHEMBL3559120 0.84 SLC16A3 (0.54) SLC16A3HTR6KEAP1NFE2L2
SCHEMBL3552473 0.82 HTR6 (0.48) SLC16A3HTR6PKMPTK2BAKR1C3

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 425/4885HTR6 2387/4885PKM 990/4885

“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.