SCHEMBL8499314

SCHEMBL8499314

CCOC(=O)CC(N)c1ccc2c(c1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CLK1 P49759 1/20 0.45
CXCR3 P49682 2/20 0.44
FFAR1 O14842 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL29511456 0.90 OGA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3861569 0.90 OGA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3861567 0.90 OGA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7951153 0.85 NPC1 (0.51) RAB9ANPC1TP53GLAALDH1A1
SCHEMBL6561480 0.82 FFAR1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8249411 0.81 RAB9A (0.50) RAB9ANPC1OGAALDH1A1KDM4E
SCHEMBL3144643 0.81 RAB9A (0.50) RAB9ANPC1OGAALDH1A1KDM4E
SCHEMBL15239118 0.81 RAB9A (0.50) RAB9ANPC1OGAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL131112 0.80 RAB9A (0.49) RAB9ANPC1OGAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4585660 0.80 RAB9A (0.49) RAB9ANPC1OGAALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447038-B2 Substituted B-amino acid derivatives as CXCR3 receptor antagonists SANOFI (FR) 2016-09-20 US disclosed
US-9447038-B2 Substituted B-amino acid derivatives as CXCR3 receptor antagonists SANOFI (FR) 2016-09-20 US disclosed
EP-2852578-B1 SUBSTITUTED ß-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI SA (FR) 2016-04-27 EP disclosed
US-20150073004-A1 SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2015-03-12 US disclosed
US-20150073004-A1 SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2015-03-12 US disclosed
WO-2013174485-A1 SUBSTITUTED ß-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2013-11-28 WO disclosed
EP-1189881-B2 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP 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-20150073004-A1 SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 HDAC3 3092/4885HDAC4 4715/4885HDAC1 3999/4885

“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.