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SCHEMBL22017474

SCHEMBL22017474

CCOC(=O)C(NC(=O)OC(C)(C)C)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PTPRB P23467 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCR2 P41597 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SIRT1 Q96EB6 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
SCHEMBL9076894 0.92 ABCB1 (0.40) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL9076896 0.90 ABCB1 (0.41) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL9074827 0.90 CYP1A2 (0.42) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL9076898 0.90 ABCB1 (0.40) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL10508353 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL20571677 0.88 MAPK1 (0.48) SMN1; SMN2TSHRMAPK1MAPTNPC1
SCHEMBL14156271 0.87 ABCB1 (0.43) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL10884920 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL9076717 0.86 ABCB1 (0.45) SMN1; SMN2ABCB1PI4KBPTPRBCYP1A2
SCHEMBL28375087 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ABCB1PI4KBLMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 — — US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 — — US disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 — — CN disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 — — US disclosed
CN-110959008-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2020-04-03 — — 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 (3 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-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL SMN1; SMN2 3101/4885ABCB1 367/4885PI4KB 1655/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL SMN1; SMN2 3101/4885ABCB1 367/4885PI4KB 1655/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL SMN1; SMN2 3101/4885ABCB1 367/4885PI4KB 1655/4885

“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.