SCHEMBL7207181

SCHEMBL7207181

CCCCC(Cl)OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 3/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
FDPS P14324 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL27602895 0.94 GPR84 (0.45) CA1GPR84FFAR1SLC1A2SLC1A1
SCHEMBL28343444 0.92 GPR84 (0.48) CA2GPR84FFAR1MAPTLCK
SCHEMBL28187499 0.92 GPR84 (0.48) CA2GPR84FFAR1MAPTLCK
SCHEMBL1463207 0.86
SCHEMBL7207177 0.84 CA2 (0.41) CA2MAPK1CA1FDPSLMNA
SCHEMBL27617573 0.84 CA2 (0.38) CA2MAPK1CA1ACHEBACE1
SCHEMBL10878549 0.83 CA2 (0.39) CA2MAPK1CA1FDPSLMNA
SCHEMBL7686574 0.83 ALDH1A1 (0.41) CA2MAPK1CA1FDPSLMNA
SCHEMBL31302726 0.82 PPARG (0.50) FFAR1MAPTPPARDLMNA
SCHEMBL31302713 0.82 PPARG (0.50) FFAR1MAPTPPARDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 WO disclosed
US-RE38333-E1 Making tenofovir analogs and salts; use as viricides for HIV, retroviruses GILEAD SCIENCES, INC. 2003-11-25 US disclosed
EP-0915894-B1 NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2003-05-14 EP disclosed
US-6069249-A CHEMICAL INTERMEDIATES; DETECTION LABELS FOR NUCLEOTIDE PROBES GILEAD SCIENCES, INC. (US) 2000-05-30 US disclosed
US-6043230-A Use of tenofovir disoproxil fumarate in treatment of HIV GILEAD SCIENCES, INC. (US) 2000-03-28 US disclosed
US-5977089-A ORALLY ADMINISTERING TENOFOVIR DERIVATIVES GILEAD SCIENCES, INC. (US) 1999-11-02 US disclosed
US-5922695-A COMPOUNDS CONTAINING CARBONATE OR CARBAMATE GROUPS GILEAD SCIENCES, INC. (US) 1999-07-13 US disclosed
EP-0915894-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1999-05-19 EP disclosed
WO-1998004569-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-02-05 WO 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT CA2 1659/4885MAPK1 4548/4885CA1 2554/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA2 1659/4885MAPK1 4548/4885CA1 2554/4885

“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.