SCHEMBL3405733

SCHEMBL3405733

CCCCOC(=O)OC(C)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 4/20 0.42
HPGD P15428 2/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ESR1 P03372 2/20 0.38
LMNA P02545 3/20 0.37
EPHX1 P07099 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37

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
SCHEMBL10662861 0.94 NAAA (0.47) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL7871772 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31112385 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL21060940 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL7774471 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL1783419 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL7860524 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL5615669 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL27572350 0.91 NAAA (0.48) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL2689929 0.88 HCAR2 (0.36) ALDH1A1TSHRHCAR2TDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 WO disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 WO disclosed
EP-1534717-B1 BETA-LACTAMASE INHIBITOR PRODRUG PFIZER PROD INC (US) 2006-12-27 EP disclosed
US-7091197-B2 Beta-lactamase inhibitor prodrug PFIZER INC. (US) 2006-08-15 US disclosed
EP-1636240-A1 BETA-LACTAMASE INHIBITOR PRODRUG Pfizer Products Inc. (US) 2006-03-22 EP disclosed
EP-1534717-A1 BETA-LACTAMASE INHIBITOR PRODRUG Pfizer Products Inc. (US) 2005-06-01 EP disclosed
US-20050004093-A1 Beta-lactamase inhibitor prodrug PFIZER INC 2005-01-06 US disclosed
WO-2004108733-A1 BETA-LACTAMASE INHIBITOR PRODRUG PFIZER PRODUCTS INC. (US) 2004-12-16 WO disclosed
US-20040110740-A1 Beta-lactamase inhibitor prodrug PFIZER INC 2004-06-10 US disclosed
WO-2004018484-A1 BETA-LACTAMASE INHIBITOR PRODRUG PFIZER PRODUCTS INC. (US) 2004-03-04 WO disclosed
CN-1007893-B Process for preparation of ether matrix of anti-inflammatory oxacikam PFIZER (US) 1990-05-09 CN disclosed
EP-0147177-B1 ETHER PRODRUGS OF ANTI-INFLAMMATORY OXICAMS PFIZER INC. (US) 1987-10-14 EP disclosed
CN-85102030-A The preparation method of the ethers parent medicine of antiphlogiston  Xi Kamu 1987-01-31 CN disclosed
US-4612143-A Process for the preparation of fluoroformates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1986-09-16 US disclosed
US-4551452-A Anti-inflammatory 2-methyl-2H-1,2-benzo-(or -thieno-)thiazine-3-carboxamide 1,1-dioxide derivatives, compositions, and method of use therefor PFIZER INC. (US) 1985-11-05 US disclosed
EP-0147177-A2 Ether prodrugs of anti-inflammatory oxicams PFIZER INC. (US) 1985-07-03 EP 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-20050004093-A1 Beta-lactamase inhibitor prodrug SI, CMBL, STS ALDH1A1 519/4885ATM 3852/4885TSHR 4591/4885
US-20040110740-A1 Beta-lactamase inhibitor prodrug SI, CMBL, STS ALDH1A1 335/4885ATM 3968/4885TSHR 4662/4885

“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.