SCHEMBL18255016

SCHEMBL18255016

CCOC(=O)COc1cc(C#N)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GLA P06280 1/20 0.50
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDH1 O75874 2/20 0.43
RXRA P19793 2/20 0.41
RXRG P48443 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15577486 0.81 GAA (0.48) KDM4EGLAGAANPSR1ALDH1A1
SCHEMBL15778741 0.80 GAA (0.47) KDM4EGLAGAANPSR1ALDH1A1
SCHEMBL18252887 0.78 PPARA (0.43) KDM4EGLAGAANPSR1L3MBTL1
SCHEMBL5279675 0.78 GAA (0.60) KDM4EGAANPSR1ALDH1A1POLB
SCHEMBL1251594 0.76 GAA (0.62) KDM4EGAANPSR1ALDH1A1KMT2A
SCHEMBL10289328 0.76 PPARA (0.55) KDM4EGLAGAANPSR1ALDH1A1
SCHEMBL9811728 0.76 KDM4E (0.60) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL23605965 0.74 GAA (0.56) KDM4EGAANPSR1ALDH1A1POLB
SCHEMBL1510253 0.74 PSEN1 (0.50) GAANPSR1ALDH1A1POLBL3MBTL1
SCHEMBL21944582 0.74 PPARD (0.35) RXRARXRGPTGDR2MRGPRX4RXRB

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-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
WO-2016187393-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. (US) 2016-11-24 WO disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 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 (3 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-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 KDM4E 4548/4885GLA 4857/4885GAA 4766/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 KDM4E 4739/4885GLA 4846/4885GAA 4729/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 KDM4E 4745/4885GLA 4632/4885GAA 4424/4885

“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.