SCHEMBL4245053

SCHEMBL4245053

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)c(F)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
STS P08842 8/20 0.51
GPR119 Q8TDV5 4/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47
CPS1 P31327 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL22491573 0.84 STS (0.56) PTPN2PTPN1PTPN6STSHPGD
SCHEMBL15566264 0.84 MEN1 (0.54) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL15566640 0.84 STS (0.54) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL16818362 0.83 STS (0.57) PTPN2PTPN1PTPN6STSHPGD
SCHEMBL25452815 0.82 STS (0.51) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL17495365 0.82 USP30 (0.50) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL2960444 0.81 STS (0.56) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL17007796 0.81 GPR119 (0.56) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL20971852 0.81 STS (0.56) PTPN2PTPN1PTPN6STSGPR119
SCHEMBL2957540 0.81 STS (0.50) PTPN2PTPN1PTPN6STSGPR119

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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (1 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 PTPN2 1136/4885PTPN1 1609/4885PTPN6 1599/4885

“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.