SCHEMBL3558076

SCHEMBL3558076

O=C(O)c1ccc(OCCOc2ccccc2NC(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
AKR1C2 P52895 2/20 0.54
AKR1C1 Q04828 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CREBBP Q92793 3/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NR1H4 Q96RI1 3/20 0.50
PKM P14618 1/20 0.50
GAA P10253 1/20 0.49
CACNA1H O95180 1/20 0.48
CACNA1B Q00975 1/20 0.48
PLK1 P53350 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL3559976 0.88 PKM (0.60) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3552439 0.87 CACNA1H (0.52) SMN1; SMN2LMNANPC1RAB9ACREBBP
SCHEMBL3561367 0.86 PYGM (0.62) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL10144734 0.85 AKR1C2 (0.59) SMN1; SMN2LMNAAKR1C2AKR1C1NPC1
SCHEMBL3568069 0.82 CACNA1H (0.53) SMN1; SMN2LMNANPC1RAB9APKM
SCHEMBL3554988 0.82 GAA (0.57) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3565241 0.81 KMT2A (0.57) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL3555876 0.81 CACNA1H (0.57) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3557989 0.81 F10 (0.62) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3556306 0.80 RAB9A (0.56) SMN1; SMN2LMNANPC1RAB9ATP53

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 SMN1; SMN2 4522/4885LMNA 2120/4885AKR1C2 32/4885

“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.