SCHEMBL5030286

SCHEMBL5030286

CC(C)(C)c1cc(C(=O)NCC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
SMPD1 P17405 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
BRD4 O60885 7/20 0.50
PDE5A O76074 1/20 0.49
SPHK2 Q9NRA0 1/20 0.47
PTPRC P08575 2/20 0.47
CTSL P07711 1/20 0.47
PTPN13 Q12923 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 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
SCHEMBL5029139 0.90 PTPRC (0.56) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL5030365 0.83 RXRA (0.72) RXRARXRBRXRGMEN1KMT2A
SCHEMBL5364510 0.83 RXRA (0.60) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL8908814 0.82 RXRA (0.63) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL22288724 0.81 RXRA (0.53) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL25417018 0.80 RXRA (0.48) RXRARXRBRXRGMEN1KMT2A
SCHEMBL18586754 0.79 RXRA (0.59) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL5369815 0.79 RXRA (0.59) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL22308853 0.79 BRD4 (0.61) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL17205316 0.78 PDE4B (0.61) SMPD1HDAC1HDAC8HDAC6BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 RXRA 1069/4885RXRB 1062/4885RXRG 1542/4885

“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.