SCHEMBL3552473

SCHEMBL3552473

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.48
PTK2B Q14289 1/20 0.48
PKM P14618 1/20 0.48
SLC16A3 O15427 3/20 0.43
IDH1 O75874 2/20 0.43
POLB P06746 1/20 0.43
LIMK2 P53671 1/20 0.43
AKR1C3 P42330 1/20 0.41
PFKFB3 Q16875 1/20 0.41
LMNA P02545 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
SCHEMBL3556603 0.91 SLC16A3 (0.52) HTR6PTK2BPKMSLC16A3POLB
SCHEMBL3563068 0.90 PKM (0.56) HTR6PTK2BPKMSLC16A3POLB
SCHEMBL3563292 0.88 PTK2B (0.58) HTR6PTK2BSLC16A3IDH1LIMK2
SCHEMBL3552101 0.88 PKM (0.51) PTK2BPKMSLC16A3POLBAKR1C3
SCHEMBL3551155 0.85 HTR6 (0.46) HTR6IDH1POLBLIMK2AKR1C3
SCHEMBL3555871 0.85 POLB (0.60) HTR6SLC16A3POLBLIMK2
SCHEMBL3556294 0.84 SLC16A3 (0.61) HTR6SLC16A3POLBLIMK2LMNA
SCHEMBL3560292 0.84 PTK2B (0.50) HTR6PTK2BSLC16A3IDH1LIMK2
SCHEMBL3555628 0.84 HTR6 (0.65) HTR6SLC16A3POLBLIMK2AKR1C3
SCHEMBL3558145 0.83 THRB (0.57) HTR6SLC16A3POLBLIMK2PFKFB3

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 HTR6 2387/4885PTK2B 3187/4885PKM 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.