SCHEMBL52331

SCHEMBL52331

O=C(O)C(=O)N1CCC(F)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
DPP7 Q9UHL4 8/20 0.46
DPP8 Q6V1X1 5/20 0.43
DPP9 Q86TI2 3/20 0.43
RBP4 P02753 1/20 0.38
NAMPT P43490 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL52330 1.00 DPP4 (0.46) DPP4DPP7DPP8DPP9RBP4
SCHEMBL15106092 1.00 DPP4 (0.46) DPP4DPP7DPP8DPP9RBP4
SCHEMBL15114461 0.85 RBP4 (0.43) DPP4DPP7DPP8DPP9RBP4
SCHEMBL2896968 0.83
SCHEMBL12474752 0.83
SCHEMBL2894448 0.83
SCHEMBL15116680 0.82 DPP4 (0.45) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL25295815 0.81 DPP4 (0.46) DPP4DPP7DPP8DPP9NAMPT
Hydrochloric Acid SCHEMBL25295814 0.81 DPP4 (0.46) DPP4DPP7DPP8DPP9NAMPT
SCHEMBL27675943 0.80 DPP4 (0.48) DPP4DPP7DPP8DPP9NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
EP-3019196-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-2802326-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-11-19 EP disclosed
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
CN-102036996-A Bridged heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-27 CN disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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 (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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 DPP4 870/4885DPP7 742/4885DPP8 305/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 DPP4 870/4885DPP7 742/4885DPP8 305/4885
US-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG DPP4 1850/4885DPP7 1603/4885DPP8 1374/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 DPP4 870/4885DPP7 742/4885DPP8 305/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 DPP4 870/4885DPP7 742/4885DPP8 305/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS DPP4 824/4885DPP7 629/4885DPP8 274/4885

“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.