SCHEMBL7104271

SCHEMBL7104271

C[C@@H](NC(=O)[C@H]1NCCS1)C(=O)NSC(Cc1ccc(N(C)C)cc1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
EPHX1 P07099 1/20 0.31
ACE P12821 1/20 0.31
PSMB5 P28074 1/20 0.30

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
SCHEMBL7104098 0.88 EPHX2 (0.37) ALDH1A1ACACBPSMB5
SCHEMBL7109567 0.83 CTSC (0.33) ALDH1A1KMT2AACACBMMP1EPHX1
SCHEMBL7107121 0.77 MMP13 (0.35) KMT2AMMP1
SCHEMBL7109633 0.76 EPHX2 (0.37) ALDH1A1ACACBPSMB5
SCHEMBL7109634 0.75 EPHX2 (0.36) ALDH1A1KMT2AACACBMMP1PSMB5
SCHEMBL7105221 0.75 ATM (0.39) KMT2AMMP1
SCHEMBL6399627 0.71 EPHX2 (0.37) ALDH1A1ACACBPSMB5
SCHEMBL7772833 0.66 USP21 (0.39) ALDH1A1EPHX1ACE
SCHEMBL7772818 0.65 CACNA1B (0.39) ALDH1A1ACACBPSMB5
SCHEMBL7105591 0.64 MEN1 (0.43) ALDH1A1KMT2AACACBPSMB5

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 ALDH1A1 3065/4885KMT2A 1929/4885ACACB 1823/4885

“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.