SCHEMBL6044508

SCHEMBL6044508

CCCn1nnc2cc(C(=O)O)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 18/20 1.00
HPGD P15428 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
SLC9A1 P19634 1/20 0.54
PLA2G4A P47712 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
SCHEMBL6044071 0.92 HCAR3 (1.00) HCAR3HPGDHCAR2SLC9A1PLA2G4A
SCHEMBL6044256 0.90 HCAR3 (1.00) HCAR3HPGDHCAR2SLC9A1PLA2G4A
SCHEMBL6043651 0.89 HCAR3 (0.97) HCAR3HPGDHCAR2SLC9A1PLA2G4A
SCHEMBL6044058 0.88 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6033322 0.85 HCAR3 (0.74) HCAR3HPGDHCAR2
SCHEMBL6044174 0.85 HCAR3 (1.00) HCAR3HPGDHCAR2PLA2G4A
SCHEMBL6043537 0.85 HCAR3 (1.00) HCAR3HPGDHCAR2PLA2G4A
SCHEMBL6688047 0.85 HCAR3 (0.77) HCAR3
SCHEMBL12380480 0.85 HCAR3 (0.73) HCAR3HPGDSLC9A1
SCHEMBL6044486 0.85 HCAR3 (1.00) HCAR3HPGDHCAR2PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 US disclosed
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 EP disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 US disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 WO disclosed
US-20060121498-A1 Enzymes involved in apoptosis EIRX THERAPEUTICS LIMITED 2006-06-08 US disclosed
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HCAR3 3628/4885HPGD 4062/4885HCAR2 4188/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK HCAR3 3538/4885HPGD 3959/4885HCAR2 4103/4885
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885HPGD 382/4885HCAR2 22/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HCAR3 3710/4885HPGD 4059/4885HCAR2 4218/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HCAR3 3710/4885HPGD 4059/4885HCAR2 4218/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HCAR3 3710/4885HPGD 4059/4885HCAR2 4218/4885

“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.