SCHEMBL3176136

SCHEMBL3176136

CC(C)(C)OC(=O)CCCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.32
NOD1 Q9Y239 1/20 0.32
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL23416460 1.00 LTA4H (0.39) LTA4HNOS1NOS3NOS2EPHX2
SCHEMBL22878139 1.00 LTA4H (0.39) LTA4HNOS1NOS3NOS2EPHX2
Hydrochloric Acid SCHEMBL22804031 0.93 LTA4H (0.38) LTA4HNOS1NOS3NOS2EPHX2
SCHEMBL14090965 0.90 TSHR (0.45) LTA4HNOS1NOS3NOS2KMT2A
SCHEMBL27801405 0.90 TSHR (0.45) LTA4HNOS1NOS3NOS2KMT2A
SCHEMBL1841835 0.89 LTA4H (0.43) LTA4HNOS1NOS3NOS2KMT2A
SCHEMBL18477 0.89 LTA4H (0.43) LTA4HNOS1NOS3NOS2KMT2A
SCHEMBL1654337 0.89 LTA4H (0.43) LTA4HNOS1NOS3NOS2KMT2A
SCHEMBL6893763 0.87 LTA4H (0.42) LTA4HNOS1NOS3NOS2KMT2A
Hydrochloric Acid SCHEMBL1517836 0.87 LTA4H (0.42) LTA4HNOS1NOS3NOS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 WO disclosed
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
WO-2022126275-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-23 WO disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
EP-0775110-B1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER LAMBERT CO (US) 2005-10-05 EP disclosed
US-5929114-A ADMINISTERING ANTIVIRAL COMPOUND WHICH EXTRUDES ZINC FROM NUCLEOCAPSID PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS WARNER-LAMBERT COMPANY (US) 1999-07-27 US disclosed
US-5734081-A Arylthio compounds WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
US-5668291-A THIOSUBSTITUTED PYRIDINES, TREATMENT OF AIDS AND HIV WARNER-LAMBERT COMPANY (US) 1997-09-16 US disclosed
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP disclosed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 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 (3 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C LTA4H 1886/4885NOS1 4849/4885NOS3 4835/4885
US-20250051375-A1 ANTI-HIV COMPOUNDS CCR5, CD4, NFATC1 LTA4H 2455/4885NOS1 1530/4885NOS3 1338/4885
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 LTA4H 4323/4885NOS1 4665/4885NOS3 4618/4885

“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.