SCHEMBL1441908

SCHEMBL1441908

Nc1ccc[c]c1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.39
GAA P10253 2/20 0.34
ABCC4 O15439 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
HTT P42858 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34

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
SCHEMBL27724084 0.81 KEAP1 (0.42) TSHRHTTSMN1; SMN2MAPTCYP1A2
SCHEMBL8641015 0.78 AKR1B1 (0.50) AKR1B1PTGS1MAPTMMP2CYP1A2
SCHEMBL1450954 0.78 AKR1B1 (0.50) AKR1B1GAAABCC4LMNATSHR
SCHEMBL28757846 0.77 CXCL8 (0.41) AKR1B1GAAABCC4LMNATSHR
SCHEMBL6762279 0.75
SCHEMBL28030866 0.75 MTNR1A (0.35) SMN1; SMN2KDM4E
SCHEMBL21054410 0.74 PTGS1 (0.45) AKR1B1GAAABCC4LMNATSHR
SCHEMBL27818826 0.73
SCHEMBL7969805 0.72 AKR1B1 (0.47) AKR1B1PTGS1MAPTMMP2CYP1A2
SCHEMBL6723732 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP claimed
EP-2907512-A1 Inhibitors of MMP-12 as antiviral Agents COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-19 EP claimed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US claimed
EP-2470514-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-07-04 EP claimed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO claimed
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
EP-2907512-A1 Inhibitors of MMP-12 as antiviral Agents COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-19 EP disclosed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US disclosed
EP-2470514-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-07-04 EP disclosed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 US disclosed
CN-101336246-A Phosphonic acid diester derivative and method for producing same HIRATAKE JUN (JP) 2008-12-31 CN disclosed
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 WO disclosed
EP-0922704-B1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO (JP) 2003-03-05 EP disclosed
CN-1095840-C Process for preparing 2- (10, 11-dihydro-10-oxodibenzo [ b, f ] thiepin-2-yl) propionic acid and intermediate compounds thereof NIPPON CHEMIPHAR CO (JP) 2002-12-11 CN disclosed
EP-0922704-A4 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO (JP) 2002-01-02 EP disclosed
CN-1234030-A Process for preparing 2-(10,11-dihydro-10-oxodibenzo [b,f] thiepin-2-yl) propionic acid and intermediates therefor NIPPON CHEMIPHAR CO (JP) 1999-11-03 CN disclosed
WO-1998007717-A1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO[b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO., LTD. (JP) 1998-02-26 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 AKR1B1 353/4885GAA 1922/4885ABCC4 4275/4885
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS MMP3, MMP11, TIMP3 AKR1B1 2380/4885GAA 172/4885ABCC4 1503/4885

“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.