SCHEMBL3560281

SCHEMBL3560281

O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2c(F)cccc2F)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.74
AKR1C3 P42330 2/20 0.50
RAB9A P51151 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
PTK2B Q14289 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.43
KAT6A Q92794 1/20 0.43
ACLY P53396 1/20 0.42
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3556460 0.93 SLC16A3 (0.66) SLC16A3AKR1C3RAB9AMRGPRX4PTK2B
SCHEMBL3564618 0.90 SLC16A3 (0.75) SLC16A3AKR1C3RAB9AMRGPRX4PTK2B
SCHEMBL3561073 0.88 SLC16A3 (0.65) SLC16A3AKR1C3PTK2BSMN1; SMN2ACLY
SCHEMBL3552087 0.86 SLC16A3 (0.68) SLC16A3AKR1C3RAB9APTK2BKDM4E
SCHEMBL3552744 0.86 SLC16A3 (0.85) SLC16A3AKR1C3RAB9APTK2BKDM4E
SCHEMBL3561340 0.85 SLC16A3 (1.00) SLC16A3AKR1C3RAB9APTK2BKDM4E
SCHEMBL3552762 0.85 SLC16A3 (0.78) SLC16A3AKR1C3RAB9APTK2BSMN1; SMN2
SCHEMBL3557553 0.84 SLC16A3 (0.53) SLC16A3AKR1C3KDM4EKMT2A
SCHEMBL3562213 0.84 SLC16A3 (0.68) SLC16A3AKR1C3RAB9ASMN1; SMN2KDM4E
SCHEMBL3561067 0.84 SLC16A3 (0.67) SLC16A3AKR1C3RAB9AMRGPRX4PTK2B

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 425/4885AKR1C3 23/4885RAB9A 4528/4885

“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.