SCHEMBL18064474

SCHEMBL18064474

CC(OC(N)=O)C(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ REN P00797 4/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ KLKB1 P03952 3/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPRA P18433 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL18064473 1.00 MMP1 (0.39) MMP1CTSLCTSKRENABCB1
SCHEMBL19547916 0.88 REN (0.41) MMP1CTSLCTSKRENABCB1
SCHEMBL19547915 0.88 REN (0.41) MMP1CTSLCTSKRENABCB1
SCHEMBL18085006 0.86 REN (0.48) CTSKRENABCB1HDAC8
SCHEMBL19559859 0.80 REN (0.42) RENABCB1HDAC8KMT2A
SCHEMBL29872892 0.76 GNPAT (0.41) MMP1CTSLCTSKRENACACB
SCHEMBL18085008 0.75 ABCB1 (0.46) RENABCB1HDAC8
SCHEMBL19547913 0.74 CTSL (0.58) MMP1CTSLCTSKRENPOLB
SCHEMBL16571295 0.74 CTSL (0.58) MMP1CTSLCTSKRENPOLB
SCHEMBL18064469 0.73 CTSL (0.49) MMP1CTSLCTSKRENPOLB

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-20160272672-A1 PHOTOLABILE LINKER FOR THE SOLID-PHASE SYNTHESIS OF HYDRAZIDES AND PYRANOPYRAZOLES DANMARKS TEKNISKE UNIVERSITET (DK) 2016-09-22 — — 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-20160272672-A1 PHOTOLABILE LINKER FOR THE SOLID-PHASE SYNTHESIS OF HYDRAZIDES AND PYRANOPYRAZOLES VIP, PTMS, SPPL2B MMP1 4144/4885CTSL 790/4885CTSK 1706/4885

“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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