SCHEMBL3554654

SCHEMBL3554654

O=C(O)c1cccc(CCCc2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.63
CYP19A1 P11511 1/20 0.50
PKM P14618 1/20 0.50
ALKBH2 Q6NS38 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
ALKBH3 Q96Q83 1/20 0.47
FTO Q9C0B1 1/20 0.47
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
NFKBIA P25963 2/20 0.45
RELA Q04206 2/20 0.45
MEN1 O00255 1/20 0.45
MDM4 O15151 1/20 0.45
OPRK1 P41145 1/20 0.45
MDM2 Q00987 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 1/20 0.44

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
SCHEMBL3559407 0.95 SLC16A3 (0.70) SLC16A3CYP19A1PKMALKBH2ALKBH5
SCHEMBL3555674 0.89 SLC16A3 (0.60) SLC16A3CYP19A1PKMALKBH2ALKBH5
SCHEMBL3561067 0.85 SLC16A3 (0.67) SLC16A3SMN1; SMN2
SCHEMBL3556954 0.85 PKM (0.56) SLC16A3CYP19A1PKMALKBH2ALKBH5
SCHEMBL3560628 0.83 SLC16A3 (0.67) SLC16A3CYP19A1PKMALKBH2ALKBH5
SCHEMBL3555442 0.83 L3MBTL1 (0.59) SLC16A3CYP19A1ALKBH2ALKBH5ALKBH3
SCHEMBL3557013 0.83 SLC16A3 (0.74) SLC16A3MEN1KMT2A
SCHEMBL3555424 0.82 AR (0.57) SLC16A3CYP19A1PKMALKBH2ALKBH5
SCHEMBL3559309 0.82 SLC16A3 (0.90) SLC16A3MEN1KMT2AALDH1A1
SCHEMBL3558229 0.82 PKM (0.55) SLC16A3PKMNFKBIARELAMEN1

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 425/4885CYP19A1 351/4885PKM 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.