SCHEMBL1772283

SCHEMBL1772283

COC(=O)CC(=O)c1ccc(F)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
NPC1 O15118 6/20 0.51
KMT2A Q03164 6/20 0.51
RAB9A P51151 4/20 0.51
HTT P42858 7/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KCNH2 Q12809 1/20 0.50
IDO1 P14902 2/20 0.49
TDO2 P48775 2/20 0.49
MEN1 O00255 5/20 0.47
ALOX12 P18054 3/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.44

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
SCHEMBL28667424 0.86 MAPT (0.50) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL25208513 0.85 CES2 (0.53) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL31582781 0.82 F2R (0.44) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL25204030 0.81 CES2 (0.53) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL109588 0.79 CA12 (0.67) MAPTNPC1KMT2ARAB9ALMNA
SCHEMBL1479361 0.79 HSP90AB1 (0.67) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL29368949 0.79 HSP90AB1 (0.67) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL485869 0.79 F2R (0.44) MAPTNPC1KMT2ARAB9AHTT
SCHEMBL14186623 0.76 GAA (0.46) MAPTKMT2AHTTLMNASMN1; SMN2
SCHEMBL1701610 0.75 PTPN1 (0.52) MAPTNPC1KMT2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326634-B1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-11-05 EP disclosed
US-20140235672-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-08-21 US disclosed
US-8759390-B2 Chromene modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-24 US disclosed
CN-102159562-A Chromene modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-08-17 CN disclosed
EP-2326634-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-06-01 EP disclosed
US-20110112146-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-12 US disclosed
WO-2010009069-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 WO 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 (2 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-20140235672-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR3, CCR2 MAPT 4816/4885NPC1 2911/4885KMT2A 4045/4885
US-20110112146-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR3, CCR2 MAPT 4827/4885NPC1 2878/4885KMT2A 4338/4885

“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.