SCHEMBL6325340

SCHEMBL6325340

COC(=O)C(=O)c1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAA1 Q13131 3/20 0.48
PRKAG3 Q9UGI9 3/20 0.48
PRKAG2 Q9UGJ0 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
NR4A2 P43354 8/20 0.43
GPR84 Q9NQS5 1/20 0.41
HTR2B P41595 1/20 0.40
CREBBP Q92793 1/20 0.40

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
Hydrochloric Acid SCHEMBL14487854 0.98 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6327581 0.88 PRKAG1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22864676 0.84 NR4A2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6030601 0.82 NR4A2 (0.51) NR4A2GPR84CREBBP
SCHEMBL6030723 0.82 KDM4E (0.55) NR4A2
SCHEMBL25425567 0.79 GPR84 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31077688 0.79 GPR84 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31077764 0.78 MAPK14 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25748812 0.78 MAPK14 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17429453 0.78 PRKAB2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US 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 (7 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PRKAB2 4554/4885PRKAG1 4498/4885PRKAA2 4431/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PRKAB2 4554/4885PRKAG1 4498/4885PRKAA2 4431/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PRKAB2 4554/4885PRKAG1 4498/4885PRKAA2 4431/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRKAB2 4554/4885PRKAG1 4498/4885PRKAA2 4431/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRKAB2 4554/4885PRKAG1 4498/4885PRKAA2 4431/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRKAB2 4554/4885PRKAG1 4498/4885PRKAA2 4431/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 PRKAB2 349/4885PRKAG1 158/4885PRKAA2 580/4885

“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.