SCHEMBL7109533

SCHEMBL7109533

C[C@@H](NC(=O)[C@H]1CSCCN1)C(=O)NSC(Cc1ccc(Oc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.38
MASP2 O00187 5/20 0.38
CTSC P53634 2/20 0.36
F2 P00734 5/20 0.35
MME P08473 2/20 0.35
ACE P12821 2/20 0.35
CPA1 P15085 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
ACACB O00763 1/20 0.34
NPY5R Q15761 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DDOST P39656 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 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 0.92 CACNA1B (0.38) CACNA1BMASP2CTSCF2MME
SCHEMBL7109633 0.91 EPHX2 (0.37) MASP2CTSCACACBLMNA
SCHEMBL7108120 0.84 HTR2C (0.42) MMEACECPA1ACE2HTR2C
SCHEMBL6399627 0.84 EPHX2 (0.37) F2ACACB
SCHEMBL7110833 0.83 ACACB (0.41) CACNA1BMASP2F2ACACB
SCHEMBL7110461 0.80 CACNA1B (0.44) CACNA1BACE
SCHEMBL7111677 0.80 NPY5R (0.36) CACNA1BMMEACECPA1ACE2
SCHEMBL7768808 0.79 CACNA1B (0.47) CACNA1BMMEACECPA1ACE2
SCHEMBL7110494 0.79 CACNA1B (0.50) CACNA1B
SCHEMBL7109567 0.79 CTSC (0.33) MASP2CTSCF2ACEACACB

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 CACNA1B 1/4885MASP2 4866/4885CTSC 3278/4885

“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.