SCHEMBL1349241

SCHEMBL1349241

CCC(NC(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MME P08473 2/20 0.38
ACE P12821 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL31406277 1.00 POLB (0.40) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19083738 1.00 POLB (0.40) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24360338 0.83 ACE (0.54) POLBMMEACEACE2KDM4E
SCHEMBL8738364 0.83 FPR2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL20912462 0.83 TGFBR1 (0.52) MMEACEACE2KDM4EMAPT
SCHEMBL20912463 0.83 TGFBR1 (0.52) MMEACEACE2KDM4EMAPT
SCHEMBL31446060 0.82 GRN (0.39) POLBMMEACEACE2KDM4E
SCHEMBL1899687 0.81 POLB (0.39) POLBMMEACEACE2KDM4E
SCHEMBL15605968 0.81 CA2 (0.47) MMEMAPT
SCHEMBL18876678 0.81 NOD1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-8063072-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LI JIM 2011-03-24 US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 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 (1 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-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 POLB 257/4885CYP1A2 321/4885CYP3A4 305/4885

“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.