SCHEMBL19200609

SCHEMBL19200609

CN[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 11/20 0.51
▸ MMP3 P08254 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ ADAM17 P78536 1/20 0.49
▸ MMP7 P09237 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ LDHA P00338 1/20 0.48

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
SCHEMBL31530464 0.85 ACACB (0.46) MMP1MMP3
SCHEMBL18603572 0.84 ALDH1A1 (0.61) MMP1MMP3MMP9
SCHEMBL13033619 0.84 LDHA (0.57) MMP1MMP3MMP2MMP9LDHA
SCHEMBL8645164 0.84 LDHA (0.57) MMP1MMP3MMP2MMP9LDHA
SCHEMBL12706395 0.83 CTSS (0.52) MMP1
SCHEMBL7933561 0.82 MMP1 (0.49) MMP1MMP13LDHA
Bromide SCHEMBL28191668 0.81 LDHA (0.54) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL15223323 0.80 LDHA (0.45) LDHA
SCHEMBL18603730 0.80 FPR2 (0.65) MMP1MMP3MMP9LDHA
SCHEMBL18603732 0.80 FPR2 (0.65) MMP1MMP3MMP9LDHA

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-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF SUVICA, INC. 2017-08-03 — — 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-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF EIF4E, EIF4EBP1, RPL30 MMP1 4343/4885MMP3 2096/4885MMP2 2452/4885

“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.

Send feedback