SCHEMBL3556306

SCHEMBL3556306

CC(C)(C)c1ccc(C(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
CACNA1H O95180 3/20 0.55
CACNA1B Q00975 1/20 0.55
GAA P10253 1/20 0.54
NR4A2 P43354 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
NR1H4 Q96RI1 2/20 0.53
PLK1 P53350 1/20 0.53
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
PKM P14618 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52

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 0.90 PKM (0.60) RAB9ANPC1CASP3SENP7CACNA1H
SCHEMBL3555876 0.88 CACNA1H (0.57) RAB9ANPC1POLBCACNA1HCACNA1B
SCHEMBL3557989 0.88 F10 (0.62) RAB9ANPC1CACNA1HCACNA1BGAA
SCHEMBL3554988 0.86 GAA (0.57) RAB9ANPC1POLBCACNA1HCACNA1B
SCHEMBL3565241 0.86 KMT2A (0.57) RAB9ANPC1POLBSENP7CACNA1H
SCHEMBL3554086 0.84 PKM (0.56) RAB9APOLBCACNA1HCACNA1BGAA
SCHEMBL3561131 0.84 POLB (0.51) RAB9ANPC1POLBCASP3SENP7
SCHEMBL3557828 0.82 PKM (0.54) RAB9ANPC1POLBCACNA1HCACNA1B
SCHEMBL3554389 0.81 KMT2A (0.57) RAB9ANPC1GAAPLK1PKM
SCHEMBL3561876 0.81 L3MBTL1 (0.54) RAB9ANPC1POLBCACNA1HCACNA1B

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 RAB9A 4528/4885NPC1 2684/4885POLB 3962/4885

“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.