SCHEMBL1150828

SCHEMBL1150828

CC(C)(C)OC(=O)N1CCC(OCc2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.55
STS P08842 1/20 0.43
AGTR2 P50052 3/20 0.43
GPR119 Q8TDV5 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL16732580 1.00 KLK7 (0.55) KLK7STSAGTR2GPR119MEN1
SCHEMBL7698816 1.00 KLK7 (0.55) KLK7STSAGTR2GPR119MEN1
SCHEMBL7511892 1.00 KLK7 (0.55) KLK7STSAGTR2GPR119MEN1
SCHEMBL20444437 0.92 KLK7 (0.57) KLK7STSAGTR2MEN1KMT2A
SCHEMBL10035703 0.91 KLK7 (0.53) KLK7STSGPR119MEN1KMT2A
SCHEMBL16943520 0.90 KLK7 (0.57) KLK7STSGPR119MEN1KMT2A
SCHEMBL16943519 0.90 KLK7 (0.57) KLK7STSGPR119MEN1KMT2A
SCHEMBL21996541 0.90 KLK7 (0.57) KLK7STSGPR119MEN1KMT2A
SCHEMBL2984486 0.87 KLK7 (0.56) KLK7STSGPR119MEN1KMT2A
SCHEMBL21996511 0.86 KLK7 (0.57) KLK7STSGPR119MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1700918-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO 2011-06-08 CN disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-7435734-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-14 US disclosed
US-7326707-B2 Bicyclic melanocortin-specific compounds PALATIN TECHNOLOGIES INCORPORATED (US) 2008-02-05 US disclosed
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2007-05-31 US disclosed
US-7217713-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-15 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
CN-1700918-A N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO (IT) 2005-11-23 CN disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
US-20040171520-A1 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. 2004-09-02 US disclosed
US-20040152134-A1 Bicyclic melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2004-08-05 US disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO disclosed
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed
EP-1166781-A1 PROTEASOME INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-01-02 EP disclosed
US-4775743-A ANTIAGGLOMERANTS GREEN CROSS CORPORATION (JP) 1988-10-04 US disclosed
EP-0214659-A2 Peptide derivatives, process for the production thereof and pharmaceutical compositions containing same GREEN CROSS CORPORATION (JP) 1987-03-18 EP 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 (6 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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI KLK7 3034/4885STS 1371/4885AGTR2 3726/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI KLK7 3034/4885STS 1371/4885AGTR2 3726/4885
US-20040171520-A1 Peptidomimetics of biologically active metallopeptides MC1R, MC4R, MC5R KLK7 962/4885STS 3421/4885AGTR2 442/4885
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI KLK7 3034/4885STS 1371/4885AGTR2 3726/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 KLK7 3271/4885STS 1305/4885AGTR2 3799/4885
US-20040152134-A1 Bicyclic melanocortin-specific compounds MC3R, MC5R, MC2R KLK7 2887/4885STS 3345/4885AGTR2 255/4885

“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.