SCHEMBL7109567

SCHEMBL7109567

C[C@@H](NC(=O)[C@@H]1CSCN1)C(=O)NSC(Cc1ccc(N(C)C)cc1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.33
MASP2 O00187 4/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
MMP1 P03956 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSK P43235 2/20 0.31
KCNH2 Q12809 2/20 0.31
F2 P00734 6/20 0.31
CCR3 P51677 1/20 0.31
BACE1 P56817 1/20 0.31
ACE P12821 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
SCHEMBL6399627 0.88 EPHX2 (0.37) ALDH1A1ACACBF2
Hydrochloric Acid SCHEMBL7774712 0.85 CACNA1B (0.38) CTSCMASP2ACACBF2BACE1
SCHEMBL7110091 0.85 ACACB (0.38) CTSCALDH1A1KMT2AACACB
SCHEMBL7104271 0.83 ALDH1A1 (0.32) ALDH1A1KMT2AACACBMMP1EPHX1
SCHEMBL7109633 0.81 EPHX2 (0.37) CTSCMASP2ALDH1A1ACACB
SCHEMBL7110833 0.80 ACACB (0.41) MASP2KMT2AACACBF2
SCHEMBL7107079 0.79 NPC1 (0.39) ALDH1A1KMT2AMMP1
SCHEMBL7109533 0.79 CACNA1B (0.38) CTSCMASP2ACACBF2BACE1
SCHEMBL7105221 0.78 ATM (0.39) KMT2AMMP1
SCHEMBL7107121 0.74 MMP13 (0.35) KMT2AMMP1

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 CTSC 3278/4885MASP2 4866/4885ALDH1A1 3065/4885

“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.