SCHEMBL3561745

SCHEMBL3561745

O=C(O)c1cccc(CCCc2ccccc2NS(=O)(=O)c2ccc(F)cc2F)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.71
KDM4E B2RXH2 1/20 0.47
PTK2B Q14289 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.43
CCR2 P41597 2/20 0.43
ACLY P53396 2/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
KAT6A Q92794 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
SCHEMBL3552762 0.95 SLC16A3 (0.78) SLC16A3KDM4EPTK2BSMN1; SMN2AKR1C3
SCHEMBL3561067 0.91 SLC16A3 (0.67) SLC16A3PTK2BSMN1; SMN2AKR1C3ACLY
SCHEMBL3558218 0.90 SLC16A3 (0.57) SLC16A3KDM4EPTK2BSMN1; SMN2ACLY
SCHEMBL3561507 0.88 SLC16A3 (0.91) SLC16A3SMN1; SMN2LMNA
SCHEMBL3559003 0.88 SLC16A3 (0.88) SLC16A3KDM4EPTK2BRAB9A
SCHEMBL3560616 0.87 SLC16A3 (0.72) SLC16A3KDM4EPTK2BAKR1C3RAB9A
SCHEMBL3556460 0.86 SLC16A3 (0.66) SLC16A3KDM4EPTK2BSMN1; SMN2AKR1C3
SCHEMBL3554747 0.86 SLC16A3 (0.54) SLC16A3KDM4EPTK2BSMN1; SMN2CCR2
SCHEMBL3564618 0.85 SLC16A3 (0.75) SLC16A3PTK2BSMN1; SMN2AKR1C3ACLY
SCHEMBL3560891 0.84 SLC16A3 (0.64) SLC16A3KDM4EPTK2BSMN1; SMN2ACLY

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 425/4885KDM4E 1045/4885PTK2B 3187/4885

“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.