SCHEMBL1295366

SCHEMBL1295366

CC(C)(C)OC(=O)NCC(=O)Cc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
MAPK8 P45983 1/20 0.40
MAOB P27338 1/20 0.39
P2RX7 Q99572 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
BRD4 O60885 1/20 0.37
IDO1 P14902 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4A O75164 1/20 0.36
GRM2 Q14416 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL1294973 0.90 GPR119 (0.47) RIPK1MAPK8GPR119CTSSCTSK
SCHEMBL1296446 0.85 RIPK1 (0.38) RIPK1MAPK8MAOBP2RX7GPR119
SCHEMBL1296449 0.85 RIPK1 (0.38) RIPK1MAPK8MAOBP2RX7GPR119
SCHEMBL1295686 0.84 RIPK1 (0.43) RIPK1GPR119CTSSCTSKMTNR1A
SCHEMBL12791296 0.83 P2RX7 (0.46) RIPK1MAOBP2RX7EPHX2KDM4A
SCHEMBL1295503 0.81 CTSS (0.48) CTSSCTSKGRM2
SCHEMBL837083 0.80 APLNR (0.47) RIPK1MAPK8MAOBP2RX7GPR119
SCHEMBL1294761 0.79 CTSS (0.52) RIPK1MAPK8GPR119CTSSCTSK
SCHEMBL21180483 0.78 ACKR3 (0.45) CTSSCTSKBRD4EPHX2KDM4A
SCHEMBL29483416 0.78 ACKR3 (0.45) CTSSCTSKBRD4EPHX2KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-9714243-B2 4-pyridinonetriazine derivatives as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-25 US disclosed
US-9707234-B2 Spirocyclic hetercycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20160317543-A1 SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 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-20160317543-A1 SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS REV1, SULT1E1, CCNY RIPK1 2072/4885MAPK8 4000/4885MAOB 1562/4885
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZYX, CCNY, XDH RIPK1 1393/4885MAPK8 4255/4885MAOB 894/4885
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 RIPK1 2076/4885MAPK8 3933/4885MAOB 56/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 RIPK1 2076/4885MAPK8 3933/4885MAOB 56/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 RIPK1 2076/4885MAPK8 3933/4885MAOB 56/4885
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS TYMP, TYMS, PNPO RIPK1 1732/4885MAPK8 3854/4885MAOB 727/4885

“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.