SCHEMBL1243777

SCHEMBL1243777

CCOC(=O)CC[C@@H]1COC(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.43
CA2 P00918 2/20 0.42
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL18817554 1.00 CTDSP1 (0.43) CTDSP1CA2ALDH1A1NPSR1USP2
SCHEMBL28924707 0.84 CA2 (0.44) CA2ALDH1A1NPSR1TSHRTMEM97
SCHEMBL3465823 0.84 CA2 (0.44) CTDSP1CA2ALDH1A1NPSR1TMEM97
SCHEMBL25961260 0.84 CA2 (0.44) CA2ALDH1A1NPSR1TSHRTMEM97
SCHEMBL10314728 0.84 CTDSP1 (0.45) CTDSP1CA2ALDH1A1NPSR1ALOX15
SCHEMBL1859536 0.84 CTDSP1 (0.45) CTDSP1CA2ALDH1A1NPSR1ALOX15
SCHEMBL15786354 0.84 CA2 (0.44) CA2ALDH1A1NPSR1TSHRTMEM97
SCHEMBL10314726 0.84 CTDSP1 (0.45) CTDSP1CA2ALDH1A1NPSR1ALOX15
SCHEMBL21136085 0.84 CA2 (0.46) CTDSP1CA2CYP1A2LMNAPOLB
SCHEMBL15343421 0.82 CA2 (0.44) CTDSP1CA2ALDH1A1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098635-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR 南京圣和药业股份有限公司 2020-05-22 WO disclosed
EP-2121665-B1 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-22 EP disclosed
US-7880014-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO INC. (US) 2010-06-17 US disclosed
CN-101547918-A Nitro derivatives as angiotensin II receptor antagonists MERCK & CO INC (US) 2009-09-30 CN disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 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 (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-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN CTDSP1 2020/4885CA2 86/4885ALDH1A1 3538/4885
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR BPGM, IL1B, WEE1 CTDSP1 2969/4885CA2 2584/4885ALDH1A1 952/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN CTDSP1 2127/4885CA2 70/4885ALDH1A1 3676/4885

“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.