SCHEMBL23200865

SCHEMBL23200865

CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.54
CTSK P43235 7/20 0.54
EGLN2 Q96KS0 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
TRPA1 O75762 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
ABCB1 P08183 3/20 0.39

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
SCHEMBL14448525 0.93 CTSS (0.53) CTSSCTSKEGLN2CTSLCTSB
SCHEMBL3645286 0.89 CTSS (0.57) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL23608193 0.87 CTSS (0.51) CTSSCTSKCTSLCTSBADRB2
SCHEMBL19490451 0.83 CTSS (0.47) CTSSCTSKEGLN2CTSLCTSB
SCHEMBL13149842 0.83 ACACB (0.49) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL23224313 0.83 ACACB (0.49) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL8172182 0.83 ACACB (0.49) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL15962588 0.82 CTSS (0.49) CTSSCTSKADRB2ADRB1ADRB3
SCHEMBL18435386 0.81 CTSK (0.64) CTSSCTSKCTSLCTSB
SCHEMBL7045324 0.81 CTSS (0.61) CTSSCTSKCTSLCTSBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 CN 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 (2 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885EGLN2 1778/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885EGLN2 1778/4885

“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.