SCHEMBL3605562

SCHEMBL3605562

CCNC(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.45
MMP2 P08253 8/20 0.45
MMP8 P22894 8/20 0.45
MMP3 P08254 7/20 0.44
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP13 P45452 4/20 0.35
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CAPN1 P07384 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL715198 0.79 DPP4 (0.51)
SCHEMBL715199 0.79 DPP4 (0.51)
SCHEMBL24579326 0.69 MMP1 (0.38) MMP1MMP2MMP8MMP3MMP13
SCHEMBL17991713 0.69 MMP1 (0.45) MMP1MMP2MMP8MMP3CTSL
SCHEMBL19578707 0.68 MMP1 (0.61) MMP1MMP2MMP8MMP3MMP13
SCHEMBL17943266 0.67 MMP1 (0.51) MMP1MMP2MMP8MMP3MMP13
SCHEMBL25659773 0.67 MMP1 (0.40) MMP1MMP2MMP8MMP3MMP13
SCHEMBL966430 0.66 CHRNB2 (0.40) MMP1MMP2MMP8MMP3KMT2A
SCHEMBL20413341 0.66 HTR1A (0.44) MMP1MMP2MMP8MMP3MMP9
SCHEMBL27630933 0.66 MMP1 (0.54) MMP1MMP2MMP8MMP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed

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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 MMP1 737/4885MMP2 214/4885MMP8 1286/4885

“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.