SCHEMBL7110833

SCHEMBL7110833

C[C@@H](NC(=O)[C@@H]1CSCN1)C(=O)NSC(Cc1ccc(Oc2ccccc2)nc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.41
MASP2 O00187 6/20 0.36
KMT2A Q03164 3/20 0.36
F2 P00734 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ACACA Q13085 3/20 0.35
CACNA1B Q00975 1/20 0.34
MEN1 O00255 1/20 0.33

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
Hydrochloric Acid SCHEMBL7774712 0.90 CACNA1B (0.38) ACACBMASP2F2CACNA1B
SCHEMBL7108120 0.85 HTR2C (0.42)
SCHEMBL7109533 0.83 CACNA1B (0.38) ACACBMASP2F2CACNA1B
SCHEMBL6399627 0.83 EPHX2 (0.37) ACACBF2
SCHEMBL7107053 0.81 CACNA1B (0.45) ACACBKMT2AACACACACNA1BMEN1
SCHEMBL7107079 0.80 NPC1 (0.39) KMT2AMEN1
SCHEMBL7109567 0.80 CTSC (0.33) ACACBMASP2KMT2AF2
SCHEMBL7111677 0.76 NPY5R (0.36) ACACBCACNA1B
SCHEMBL7109633 0.76 EPHX2 (0.37) ACACBMASP2
SCHEMBL5355003 0.74 CACNA1B (0.54) ACACBMASP2KMT2AF2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed

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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ACACB 1823/4885MASP2 4866/4885KMT2A 1929/4885

“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.