SCHEMBL1317618

SCHEMBL1317618

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.71
PTPN1 P18031 2/20 0.71
PTPN6 P29350 1/20 0.71
ABL1 P00519 1/20 0.65
RIN1 Q13671 1/20 0.65
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
YAP1 P46937 1/20 0.56
TEAD4 Q15561 1/20 0.56
STS P08842 1/20 0.56
GPR119 Q8TDV5 1/20 0.55
GLA P06280 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
USP30 Q70CQ3 1/20 0.53
FAAH O00519 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL29686111 1.00 PTPN2 (0.71) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL29971632 1.00 PTPN2 (0.71) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL3557554 0.94 PTPN2 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL5870918 0.93 ABL1 (0.62) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL3715390 0.93 ABL1 (0.62) PTPN2PTPN1PTPN6ABL1RIN1
Hydrochloric Acid SCHEMBL28768913 0.92 PTPN2 (0.79) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL12771465 0.90 PTPN1 (0.88) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL5870903 0.90 PTPN2 (0.62) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL15686544 0.89 PTPN2 (0.73) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL12771496 0.88 PTPN2 (0.72) PTPN2PTPN1PTPN6ABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 PTPN2 674/4885PTPN1 524/4885PTPN6 556/4885

“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.