SCHEMBL2685745

SCHEMBL2685745

CC(C)(C)OC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
NR4A2 P43354 1/20 0.41
NPC1 O15118 1/20 0.41
MC4R P32245 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2685750 1.00 IDO1 (0.47) IDO1CYP2C9CYP3A4GAASMN1; SMN2
SCHEMBL1521462 0.84 IDO1 (0.44) IDO1CYP2C9CYP3A4GAASMN1; SMN2
SCHEMBL2897783 0.84 IDO1 (0.44) IDO1CYP2C9CYP3A4GAASMN1; SMN2
SCHEMBL17978110 0.83 HDAC8 (0.50) IDO1CYP2C9CYP3A4GAAHDAC8
SCHEMBL17978109 0.83 HDAC8 (0.50) IDO1CYP2C9CYP3A4GAAHDAC8
SCHEMBL19377907 0.83 IDO1 (0.43) IDO1CYP2C9CYP3A4GAASMN1; SMN2
SCHEMBL11450832 0.83 CYP3A4 (0.58) CYP2C9CYP3A4GAASMN1; SMN2ALDH1A1
SCHEMBL19378016 0.83 IDO1 (0.45) IDO1CYP2C9CYP3A4GAASMN1; SMN2
SCHEMBL11458388 0.82 IDO1 (0.49) IDO1CYP2C9CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL191891 0.80 PPARG (0.49) CYP2C9CYP3A4GAACYP1A2CYP2D6

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-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
CN-101061116-A Sulfonamide compounds JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A IDO1 1061/4885CYP2C9 1020/4885CYP3A4 959/4885

“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.