SCHEMBL3425249

SCHEMBL3425249

CCOC(=O)Cc1cc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
IDO1 P14902 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.44
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL7380843 0.85 KDM4E (0.54) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL3428313 0.82 KDM4E (0.61) KDM4EGAAKMT2AIDO1MAPT
Lithium Ion SCHEMBL3428310 0.81 KDM4E (0.56) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL384385 0.81 KDM4E (0.74) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL170083 0.76 HSD17B10 (0.56) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL17205954 0.74 CYP19A1 (0.46) KDM4EGAAKMT2AALDH1A1RAB9A
SCHEMBL10180678 0.74 FLT3 (0.41) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9662144 0.73 PTGS2 (0.46) KDM4EKMT2AALDH1A1HPGDRAB9A
SCHEMBL1940297 0.73 POLB (0.62) KMT2ALMNAPOLBSMN1; SMN2MAPT
SCHEMBL512391 0.73 POLB (0.52) KMT2ARAB9ANPC1HTTL3MBTL1

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
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1620391-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KDM4E 4656/4885GAA 4566/4885KMT2A 4466/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 KDM4E 4697/4885GAA 4561/4885KMT2A 4534/4885

“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.