SCHEMBL3562432

SCHEMBL3562432

Cc1c(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)cc(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.47
IDH1 O75874 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
THRB P10828 1/20 0.45
WDR5 P61964 1/20 0.44
SLC16A3 O15427 2/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B13 Q7Z5P4 1/20 0.42
FABP4 P15090 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
SCHEMBL3563292 0.84 PTK2B (0.58) PTK2BIDH1ALDH1A1SLC16A3MEN1
SCHEMBL3559534 0.82 SLC16A3 (0.64) PTK2BIDH1ALDH1A1SLC16A3LMNA
SCHEMBL3560292 0.82 PTK2B (0.50) PTK2BIDH1THRBWDR5SLC16A3
SCHEMBL3552473 0.81 HTR6 (0.48) PTK2BIDH1SLC16A3LMNAHTR6
SCHEMBL3551155 0.81 HTR6 (0.46) IDH1ALDH1A1THRBWDR5LMNA
SCHEMBL3564056 0.80 ALDH1A1 (0.54) IDH1ALDH1A1THRBWDR5MEN1
SCHEMBL3555871 0.78 POLB (0.60) SLC16A3MEN1KMT2AHTR6POLB
SCHEMBL3556021 0.78 KDM1A (0.59) ALDH1A1MEN1KMT2AHTR6POLB
SCHEMBL3561244 0.78 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTR6POLB
SCHEMBL3556294 0.78 SLC16A3 (0.61) ALDH1A1SLC16A3LMNAMEN1KMT2A

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 PTK2B 3187/4885IDH1 970/4885ALDH1A1 61/4885

“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.