SCHEMBL5273166

SCHEMBL5273166

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCCCCC(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.79
PTPN1 P18031 5/20 0.35
SLC10A2 Q12908 2/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CTSD P07339 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
SCHEMBL4617212 0.98 NR1H4 (0.80) NR1H4PTPN1SLC10A2KMT2AATM
SCHEMBL5691778 0.94 NR1H4 (0.74) NR1H4PTPN1SLC10A2CTSD
SCHEMBL5743635 0.93 NR1H4 (0.83) NR1H4SLC10A2KMT2AATM
SCHEMBL25249701 0.93 NR1H4 (0.77) NR1H4PTPN1SLC10A2CTSD
SCHEMBL26235945 0.92 NR1H4 (0.79) NR1H4SLC10A2KMT2AATM
SCHEMBL919321 0.92 NR1H4 (0.79) NR1H4SLC10A2KMT2AATM
Ammonia Solution, Strong SCHEMBL5742064 0.92 NR1H4 (0.78) NR1H4SLC10A2KMT2AATM
Ammonia Solution, Strong SCHEMBL5742061 0.92 NR1H4 (0.78) NR1H4SLC10A2KMT2AATM
SCHEMBL4615546 0.91 NR1H4 (0.80) NR1H4SLC10A2KMT2AATMCTSD
SCHEMBL4731985 0.91 NR1H4 (0.79) NR1H4SLC10A2KMT2AATMCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2023-07-06 US disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 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 (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-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885PTPN1 1990/4885SLC10A2 2/4885

“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.