SCHEMBL13390150

SCHEMBL13390150

CC(C)(C)OC(=O)N1CCC(C(=O)COc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.58
▸ GPR119 Q8TDV5 6/20 0.55
▸ PTPN2 P17706 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ PTPN6 P29350 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTPRB P23467 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL4117740 0.82 STS (0.64) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL3249170 0.82 KDM4E (0.61) STSGPR119KDM4EPKM
SCHEMBL931999 0.82 MEN1 (0.72) KDM4EMEN1KMT2A
SCHEMBL2158159 0.81 GPR119 (0.65) STSGPR119KDM4EPKM
SCHEMBL28398406 0.81 STS (0.48) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL1653114 0.80 KDM4E (0.62) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL19022363 0.78 HPGD (0.57) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL5449587 0.78 STS (0.62) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL18338006 0.78 KLK7 (0.52) KDM4EMEN1KMT2A
SCHEMBL18338005 0.78 KLK7 (0.52) KDM4EMEN1KMT2A

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-8324251-B2 Cyclic modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-8324251-B2 Cyclic modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
WO-2008042926-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 — — 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-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR3 STS 2708/4885GPR119 240/4885PTPN2 835/4885

“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.

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