SCHEMBL7107638

SCHEMBL7107638

COc1ccc(CC(C2CCCCC2)S(=O)(=O)NC(=O)[C@@H](C)NC(=O)[C@H]2NCCS2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP1 P03956 2/20 0.40
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.37
ACACB O00763 1/20 0.37
TSHR P16473 1/20 0.36
MMP13 P45452 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PSMB8 P28062 3/20 0.36
PSMB5 P28074 2/20 0.36
PSMB9 P28065 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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 0.83 EPHX2 (0.37) ALDH1A1POLBEPHX2ACACBMMP13
SCHEMBL7106612 0.80 ACACB (0.47) MMP2MMP3MMP1ALDH1A1POLB
SCHEMBL7109620 0.79 MEN1 (0.41) MMP2MMP3MMP1ALDH1A1POLB
SCHEMBL7110084 0.77 STS (0.53) MMP2MMP3MMP1ALDH1A1POLB
SCHEMBL7109650 0.76 MEN1 (0.41) ALDH1A1POLBPSMB8PSMB5KMT2A
SCHEMBL5344523 0.72 CPB2 (0.44) MMP2MMP3MMP1ALDH1A1POLB
SCHEMBL5344519 0.72 CPB2 (0.44) MMP2MMP3MMP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL5429642 0.71 CPB2 (0.44) MMP2MMP3MMP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL5429651 0.71 CPB2 (0.44) MMP2MMP3MMP1ALDH1A1POLB
SCHEMBL14591599 0.71 SMN1; SMN2 (0.46) ALDH1A1POLBEPHX2SMN1; SMN2NPC1

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 MMP2 3917/4885MMP3 3373/4885MMP1 2521/4885

“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.