SCHEMBL2987828

SCHEMBL2987828

O=C(O)c1cc(C(F)(F)F)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.59
LIPG Q9Y5X9 1/20 0.59
KDM1A O60341 2/20 0.53
PLK1 P53350 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MPO P05164 3/20 0.48
GRIK1 P39086 3/20 0.48
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SORT1 Q99523 1/20 0.47
LMNA P02545 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.46
CES2 O00748 1/20 0.45

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
SCHEMBL27902927 0.86 RXFP1 (0.47) LIPCLIPGPLK1KDM4EALDH1A1
SCHEMBL5742052 0.86 MEN1 (0.46) LIPCLIPGKDM1APLK1KDM4E
SCHEMBL3885198 0.84 KDM4E (0.59) LIPCLIPGKDM1APLK1KDM4E
SCHEMBL3886155 0.84 KIF11 (0.56) LIPCLIPGKDM1APLK1KDM4E
SCHEMBL1893876 0.82 KCNK2 (0.57) LIPCLIPGKDM4EALDH1A1HSD17B10
SCHEMBL17627407 0.81 LIPC (0.60) LIPCLIPGKDM1APLK1KDM4E
SCHEMBL5127442 0.81 LIPC (0.53) LIPCLIPGKDM1APLK1KDM4E
SCHEMBL3887002 0.81 PTPRC (0.64) LIPCLIPGKDM4EALDH1A1HSD17B10
SCHEMBL16198286 0.81 KDM4E (0.64) KDM4EALDH1A1HSD17B10MPOAKR1C3
SCHEMBL2403082 0.81 MEN1 (0.57) PLK1ALDH1A1GRIK1MEN1KMT2A

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
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 LIPC 1916/4885LIPG 597/4885KDM1A 4507/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 LIPC 2030/4885LIPG 586/4885KDM1A 4330/4885

“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.