SCHEMBL7954021

SCHEMBL7954021

CC(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 3/20 0.59
▸ FOLH1 Q04609 2/20 0.59
▸ CTSK P43235 6/20 0.52
▸ CTSS P25774 5/20 0.52
▸ CTSL P07711 2/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ PPARA Q07869 5/20 0.46
▸ PPARG P37231 4/20 0.46
▸ CAPN1 P07384 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ PPARD Q03181 2/20 0.44

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
SCHEMBL1319454 1.00 NAALAD2 (0.59) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL7066210 1.00 NAALAD2 (0.59) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL20745305 1.00 NAALAD2 (0.59) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL13263380 1.00 NAALAD2 (0.59) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL18560556 1.00 NAALAD2 (0.59) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL28804956 0.90 CTSK (0.50) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL28804957 0.90 CTSK (0.50) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL27844888 0.89 CTSK (0.57) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL30174879 0.89 CTSK (0.49) NAALAD2FOLH1CTSKCTSSCTSL
SCHEMBL13293190 0.89 CTSK (0.49) NAALAD2FOLH1CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 — — US disclosed
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 — — US disclosed
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-01-05 — — US disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 — — US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 — — US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 — — US disclosed
EP-3668863-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-06-24 — — EP disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 — — US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 — — US disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 — — WO disclosed
EP-3390389-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS Merck Patent GmbH (DE) 2018-10-24 — — EP disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 — — US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
CN-102093260-B Stereospecific Synthesis of Piperidine Derivatives TAIGEN BIOTECHNOLOGY CO LTD 2014-03-05 — — CN disclosed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 — — US disclosed
CN-102093260-A Stereospecific Synthesis of Piperidine Derivatives TAIGEN BIOTECHNOLOGY CO LTD 2011-06-15 — — CN disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 — — 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 (11 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NAALAD2 2202/4885FOLH1 1068/4885CTSK 1523/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NAALAD2 2202/4885FOLH1 1068/4885CTSK 1523/4885
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 NAALAD2 2552/4885FOLH1 1311/4885CTSK 4291/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NAALAD2 2202/4885FOLH1 1068/4885CTSK 1523/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 NAALAD2 2552/4885FOLH1 1311/4885CTSK 4291/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NAALAD2 2176/4885FOLH1 1090/4885CTSK 1296/4885
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 NAALAD2 22/4885FOLH1 80/4885CTSK 503/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NAALAD2 2202/4885FOLH1 1068/4885CTSK 1523/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NAALAD2 2439/4885FOLH1 1269/4885CTSK 1257/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NAALAD2 2439/4885FOLH1 1269/4885CTSK 1257/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NAALAD2 2202/4885FOLH1 1068/4885CTSK 1523/4885

“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.

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