SCHEMBL1773459

SCHEMBL1773459

COc1ccc2c(c1)C(=O)C(C(=O)OC(C)(C)C)C(c1ccc(Cl)c(Cl)c1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
HIF1A Q16665 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 7/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
AGTR1 P30556 2/20 0.47

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
SCHEMBL1893757 0.80 MAPT (0.50) KDM4ESMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL1893755 0.80 MAPT (0.50) KDM4ESMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL1772846 0.78 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL1772384 0.76 CYP3A4 (0.47) MEN1CYP3A4KMT2A
SCHEMBL1886531 0.71 CYP3A4 (0.45) KDM4EMEN1CYP3A4KMT2ANPC1
SCHEMBL1886532 0.71 CYP3A4 (0.45) KDM4EMEN1CYP3A4KMT2ANPC1
SCHEMBL1772517 0.70 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL17708945 0.68 LMNA (0.40) KDM4ESMN1; SMN2HTTMEN1CYP3A4
SCHEMBL1772130 0.67 CYP3A4 (0.42) KDM4EALDH1A1HTTMEN1CYP3A4
SCHEMBL7951769 0.66 EDNRB (0.54)

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 6 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
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 KDM4E 4127/4885SMN1; SMN2 3612/4885ALDH1A1 1254/4885
US-20110112146-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR3, CCR2 KDM4E 4258/4885SMN1; SMN2 3745/4885ALDH1A1 1201/4885

“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.