SCHEMBL4180455

SCHEMBL4180455

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.56
PSEN2 P49810 5/20 0.56
APH1B Q8WW43 5/20 0.56
NCSTN Q92542 5/20 0.56
APH1A Q96BI3 5/20 0.56
PSENEN Q9NZ42 5/20 0.56
APP P05067 1/20 0.56
KMT2A Q03164 1/20 0.53
BACE1 P56817 8/20 0.52
KLK5 Q9Y337 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4180459 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14364747 0.95 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893248 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1006593 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893226 0.88 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14389899 0.86 PSMB8 (0.44) BACE1
SCHEMBL8893631 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893270 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9397295 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893043 0.83 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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-7592368-B2 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 US claimed
US-20050148548-A1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS INC. 2005-07-07 US claimed
US-6838474-B2 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-01-04 US claimed
US-6559137-B1 Characterized by favorable aqueous solubility, high oral bioavailability and facile in vivo generation of the active ingredient VERTEX PHARMACEUTICALS INCORPORATED 2003-05-06 US claimed
EP-4566670-A2 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2025-06-11 EP disclosed
EP-3696171-B1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2025-02-19 EP disclosed
US-20250000821-A1 METHODS OF USING DIPIVEFRIN Insignis Therapeutics, Inc. 2025-01-02 US disclosed
US-20240285645-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2024-08-29 US disclosed
EP-4403221-A2 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2024-07-24 EP disclosed
EP-2487161-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2024-06-05 EP disclosed
EP-2049506-B2 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
CN-111565716-B Method of using dipivefrin 因斯格尼斯疗法有限公司 2023-06-09 CN disclosed
EP-4140485-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2023-03-01 EP disclosed
EP-3166607-B1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2022-08-31 EP disclosed
US-20220193010-A1 METHODS OF USING DIPIVEFRIN INSIGNIS THERAPEUTICS INC (US) 2022-06-23 US disclosed
US-20220062293-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2022-03-03 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 (5 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-20250000821-A1 METHODS OF USING DIPIVEFRIN QDPR, DNPEP, DPEP1 PSEN1 3127/4885PSEN2 3520/4885APH1B 4757/4885
US-20050148548-A1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors PRSS1, TMPRSS15, SI PSEN1 196/4885PSEN2 399/4885APH1B 103/4885
US-20220193010-A1 METHODS OF USING DIPIVEFRIN QDPR, DNPEP, DPEP1 PSEN1 3127/4885PSEN2 3520/4885APH1B 4757/4885
US-20220062293-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR7, TLR3, TLR6 PSEN1 4211/4885PSEN2 3946/4885APH1B 3681/4885
US-20240285645-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR7, TLR3, TLR6 PSEN1 4211/4885PSEN2 3946/4885APH1B 3681/4885

“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.