SCHEMBL19200684

SCHEMBL19200684

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.46
▸ MMP1 P03956 7/20 0.42
▸ MMP13 P45452 1/20 0.39
▸ LDHA P00338 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ MMP3 P08254 2/20 0.37
▸ MMP9 P14780 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FPR2 P25090 1/20 0.36

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
SCHEMBL3638571 0.81 LDHA (0.46) RENMMP1MMP13LDHAPPARG
SCHEMBL11443642 0.81 REN (0.47) RENMMP13ACACBAAK1
SCHEMBL3776724 0.80 LDHA (0.54) RENMMP13LDHAPPARGPPARA
SCHEMBL6942693 0.80 LDHA (0.54) RENMMP13LDHAPPARGPPARA
SCHEMBL3777215 0.79 LDHA (0.46) MMP13LDHAAAK1ALDH1A1
SCHEMBL11116045 0.74 REN (0.47) REN
SCHEMBL15223320 0.74 REN (0.41) RENLDHAAAK1ALDH1A1
SCHEMBL22275832 0.73 MMP1 (0.43) RENMMP1MMP3MMP9ALDH1A1
SCHEMBL6321168 0.73 CTSS (0.46) RENMMP13AAK1MMP3
SCHEMBL24443461 0.73 MAPT (0.49) RENMMP13LDHAPPARGPPARA

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 REN 758/4885MMP1 4343/4885MMP13 2496/4885

“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.

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