SCHEMBL18064469

SCHEMBL18064469

CC(C)C[C@H](NC(=O)[C@@H](OC(N)=O)C(c1ccccc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NN

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ REN P00797 3/20 0.46
▸ PTPN1 P18031 1/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ CTSS P25774 2/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ IL1RN P18510 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL19547913 0.83 CTSL (0.58) CTSLCTSKRENPTPN1MMP1
SCHEMBL16571295 0.83 CTSL (0.58) CTSLCTSKRENPTPN1MMP1
SCHEMBL18064468 0.81 REN (0.65) CTSLCTSKRENCTSS
SCHEMBL16576413 0.81 REN (0.65) CTSLCTSKRENCTSS
SCHEMBL18064467 0.78 REN (0.51) CTSLCTSKRENPTPN1CTSS
SCHEMBL18064474 0.73 MMP1 (0.39) CTSLCTSKRENPTPN1MMP1
SCHEMBL18064473 0.73 MMP1 (0.39) CTSLCTSKRENPTPN1MMP1
SCHEMBL30658624 0.72 CTSL (0.55) CTSLCTSKRENMMP1
SCHEMBL20740927 0.71 MME (0.55) CTSLRENMMP1MMP2MMP9
SCHEMBL20740926 0.71 MME (0.55) CTSLRENMMP1MMP2MMP9

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 CTSL 790/4885CTSK 1706/4885REN 2192/4885

“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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