SCHEMBL642837

SCHEMBL642837

C[C@H](N)C(=O)Oc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 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
SCHEMBL10087856 0.85 ALDH1A1 (0.40) ELANEKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL3016523 0.83 SMN1; SMN2 (0.39) KDM4ECYP1A2CYP2C9LMNAHPGD
SCHEMBL1282947 0.81 HSD17B10 (0.50) ELANEKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL7275094 0.81 REN (0.42) MAPTNPSR1ALDH1A1TDP1KMT2A
SCHEMBL1300248 0.81 CYP3A4 (0.45) CYP1A2CYP2C9LMNAMAPTALDH1A1
SCHEMBL6723581 0.81 ELANE (0.44) ELANEKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL4731573 0.80 HSD17B10 (0.63) ELANEKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL2854249 0.80 KMT2A (0.50) ELANEKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL19625924 0.80 KDM4E (0.62) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL9850317 0.80 KDM4E (0.62) KDM4EHSD17B10CYP1A2CYP2C9LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US disclosed
EP-2707363-A1 A PROCESS FOR THE PREPARATION OF BENZYL [(3AS,4R,6S,6AR)-6-HYDROXY-2,2- DIMETHYLTETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL]-4-YL]CARBAMATE AND INTERMEDIATES IN THE PROCESS AstraZeneca AB (SE) 2014-03-19 EP disclosed
WO-2012158099-A1 A PROCESS FOR THE PREPARATION OF BENZYL [(3AS,4R,6S,6AR)-6-HYDROXY-2,2- DIMETHYLTETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL]-4-YL]CARBAMATE AND INTERMEDIATES IN THE PROCESS ASTRAZENECA AB (SE) 2012-11-22 WO disclosed
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
US-8039616-B2 Benzodiazepine derivatives for treating hepatitis C infection ASTRAZENECA AB (SE) 2011-10-18 US disclosed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20090318427-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP disclosed
US-7582624-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2009-09-01 US disclosed
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP disclosed
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 US disclosed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 US disclosed
WO-2007034127-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2007-03-29 WO disclosed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US disclosed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP disclosed
EP-0274999-A2 Resin support for solid phase peptide synthesis MONSANTO COMPANY (US) 1988-07-20 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 (5 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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 ELANE 4428/4885KDM4E 4254/4885HSD17B10 3109/4885
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 ELANE 3318/4885KDM4E 3634/4885HSD17B10 1433/4885
US-20090318427-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION CNR1, GABRA6, SIGMAR1 ELANE 3045/4885KDM4E 3957/4885HSD17B10 997/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 ELANE 3297/4885KDM4E 3550/4885HSD17B10 1438/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 ELANE 4428/4885KDM4E 4254/4885HSD17B10 3109/4885

“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.