SCHEMBL3560108

SCHEMBL3560108

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
AR P10275 1/20 0.52
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP19A1 P11511 1/20 0.50
SLC25A1 P53007 1/20 0.50
NR1I2 O75469 1/20 0.49
POLB P06746 2/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAPT P10636 1/20 0.47
SLC16A3 O15427 1/20 0.47
ALKBH2 Q6NS38 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
ALKBH3 Q96Q83 1/20 0.47
FTO Q9C0B1 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL3555442 0.93 L3MBTL1 (0.59) L3MBTL1ARGAASMN1; SMN2CYP19A1
SCHEMBL3555424 0.89 AR (0.57) L3MBTL1ARGAASMN1; SMN2CYP19A1
SCHEMBL3554638 0.85 L3MBTL1 (0.56) L3MBTL1ARGAASMN1; SMN2CYP19A1
SCHEMBL3563292 0.84 PTK2B (0.58) SMN1; SMN2NR1I2HSD17B1HSD17B2SLC16A3
SCHEMBL3560628 0.82 SLC16A3 (0.67) ARGAACYP19A1POLBSLC16A3
SCHEMBL3555871 0.81 POLB (0.60) POLBMAPTSLC16A3HTR6
SCHEMBL3558846 0.81 TSHR (0.70) NR1I2SLC16A3HTT
SCHEMBL3555628 0.81 HTR6 (0.65) POLBKDM1AMAOASLC16A3HTR6
SCHEMBL3562430 0.80 IDH1 (0.53) MAPTSLC16A3ALKBH2ALKBH3FTO
SCHEMBL3557477 0.80 SLC16A3 (0.50) HSD17B1HSD17B2SLC16A3PTK2BHTR6

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 L3MBTL1 2080/4885AR 3412/4885GAA 1191/4885

“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.