SCHEMBL3541502

SCHEMBL3541502

COc1cc(C(=O)N(CC(C)=Cc2ccc(F)cc2F)CC2CCCN2C2CCC2)ccc1OC(F)F

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 20/20 0.64

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
SCHEMBL13316410 1.00 ACKR3 (0.64) ACKR3
SCHEMBL3541498 1.00 ACKR3 (0.64) ACKR3
SCHEMBL3541500 1.00 ACKR3 (0.64) ACKR3
SCHEMBL13349500 0.91 ACKR3 (0.66) ACKR3
SCHEMBL3544219 0.88 ACKR3 (0.72) ACKR3
SCHEMBL3544216 0.88 ACKR3 (0.72) ACKR3
SCHEMBL3534543 0.88 ACKR3 (0.72) ACKR3
SCHEMBL13543140 0.88 ACKR3 (0.72) ACKR3
SCHEMBL3534541 0.88 ACKR3 (0.72) ACKR3
SCHEMBL13316398 0.87 ACKR3 (0.63) ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
EP-1606251-B1 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX INC (US) 2009-04-08 EP disclosed
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CHEMOCENTRYX, INC. 2004-09-02 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 (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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885

“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.