Sugi Predict

Sugi Predict / Compounds / SCHEMBL4150352

SCHEMBL4150352

SCHEMBL4150352

COC(=O)c1ncn(Cc2ccccc2)c1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MMP13 P45452 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43

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
SCHEMBL4150358 0.93 PKM (0.74) PKMGAATSHRALDH1A1CYP1A2
SCHEMBL20591090 0.87 SCD (0.50) PKMGAATSHRALDH1A1SMN1; SMN2
SCHEMBL20591084 0.87 PKM (0.47) PKMGAATSHRALDH1A1SMN1; SMN2
SCHEMBL20591078 0.87 GAA (0.48) PKMGAATSHRALDH1A1SMN1; SMN2
SCHEMBL20591088 0.86 CYP11B2 (0.48) PKMGAATSHRCYP11B1CYP11B2
SCHEMBL20591093 0.86 CYP11B2 (0.48) PKMGAATSHRALDH1A1CYP11B1
SCHEMBL5794847 0.85 PKM (0.47) PKMGAATSHRALDH1A1CYP1A2
SCHEMBL20591075 0.84 MAPK8 (0.48) PKMGAATSHRCYP11B2MAPK8
SCHEMBL20591081 0.83 MAPT (0.51) PKMGAATSHR
SCHEMBL20591092 0.83 KDM4E (0.47) PKMGAATSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2022-12-22 — — US disclosed
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2022-12-22 — — US disclosed
EP-4069216-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab, LLC (US) 2022-10-12 — — EP disclosed
WO-2021113795-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2021-06-10 — — WO disclosed
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 — — EP disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — WO disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 — — US disclosed
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
CN-1726212-A Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2006-01-25 — — CN disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 — — EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — 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 (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-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 PKM 740/4885GAA 1516/4885TSHR 1504/4885
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 PKM 3516/4885GAA 1256/4885TSHR 3906/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 PKM 3522/4885GAA 1659/4885TSHR 4025/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 PKM 3522/4885GAA 1659/4885TSHR 4025/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE PKM 2238/4885GAA 900/4885TSHR 4778/4885
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, SERPINB1 PKM 1869/4885GAA 90/4885TSHR 4241/4885
US-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 PKM 2808/4885GAA 3995/4885TSHR 3033/4885

“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.