SCHEMBL4330469

SCHEMBL4330469

O=C(NC1(C(=O)O)CCCC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.39
FABP5 Q01469 6/20 0.39
ALDH1A1 P00352 2/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.33
ERAP1 Q9NZ08 2/20 0.32
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
CTSS P25774 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
SCHEMBL7347312 0.98 FABP4 (0.38) FABP4FABP5ALDH1A1CA2CYP1A2
SCHEMBL30252249 0.96 FABP4 (0.36) FABP4FABP5ALDH1A1CA2CYP1A2
SCHEMBL2722431 0.91 CA2 (0.39) FABP4FABP5ALDH1A1CA2SMN1; SMN2
SCHEMBL16409213 0.80 CTSL (0.34) ALDH1A1CA2SMN1; SMN2CTSS
SCHEMBL23794142 0.78 ALDH1A1 (0.36) FABP4FABP5ALDH1A1CYP1A2ERAP1
SCHEMBL9947946 0.78 CA2 (0.34) ALDH1A1CA2SMN1; SMN2POLB
SCHEMBL16391617 0.76 EPHX1 (0.36) ALDH1A1CA2SMN1; SMN2POLBCTSS
SCHEMBL19388569 0.76 CTSS (0.33) CA2CTSS
SCHEMBL18125955 0.75 ALDH1A1 (0.41) FABP4FABP5ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL16391416 0.73 FABP4 (0.36) FABP4FABP5ALDH1A1FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
US-20220411462-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-12-29 US disclosed
EP-4086272-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-11-09 EP disclosed
CN-102076688-A Purine derivatives further comprising a mercapto-acylamino group as neutral endopeptidase inhibitors NOVARTIS AG 2011-05-25 CN disclosed
WO-2009138122-A1 PURINE DERIVATIVES FURTHER COMPRISING A MERCAPTO-ACYLAMINO GROUP AS NEUTRAL ENDOPEPTIDASE INHIBITORS NOVARTIS AG (CH) 2009-11-19 WO disclosed
EP-0552712-B1 8-(1-Aminocycloalkyl)-1,3-dialkylxanthine derivatives as antagonists adenosine receptors FOSCAMA BIOMED CHIM FARMA (IT) 1998-11-25 EP disclosed
US-5378844-A ADENOSINE ANTAGONIST BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1995-01-03 US disclosed
EP-0552712-A1 8-(1-Aminocycloalkyl)-1,3-dialkylxanthine derivatives as antagonists adenosine receptors BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1993-07-28 EP 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 (2 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-20220411462-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES NGLY1, NPPA, VIP FABP4 2666/4885FABP5 3043/4885ALDH1A1 4672/4885
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID DNPEP, VIP, NPEPPS FABP4 3266/4885FABP5 3048/4885ALDH1A1 4328/4885

“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.