SCHEMBL6181240

SCHEMBL6181240

O=c1cc(CO)n(OC(c2ccccc2)c2ccccc2)cc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.40
SRD5A2 P31213 1/20 0.32
TEAD4 Q15561 1/20 0.32
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL1686711 0.90 COMT (0.38) COMTSRD5A2TEAD4LTB4RLTB4R2
SCHEMBL9172538 0.86 IDO1 (0.30)
SCHEMBL1686843 0.86 COMT (0.41) COMTSRD5A2TEAD4
SCHEMBL9177042 0.84 IDO1 (0.31)
SCHEMBL1686852 0.84 COMT (0.40) COMTLTB4RLTB4R2
SCHEMBL9366982 0.82 COMT (0.38) COMTSRD5A2TEAD4LTB4RLTB4R2
SCHEMBL9174630 0.81 CASP3 (0.39)
SCHEMBL9409803 0.81 LTB4R (0.31) LTB4RLTB4R2
SCHEMBL9370311 0.81 COMT (0.38) COMTSRD5A2LTB4RLTB4R2
SCHEMBL9366427 0.80 COMT (0.36) COMTSRD5A2LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777464-B Hydroxamic acid derivative and preparation method and application thereof 中国科学院上海药物研究所 2020-09-29 CN disclosed
EP-2124942-B1 Combination medicaments for treating bacterial infections BASILEA PHARMACEUTICA AG (CH) 2016-04-27 EP disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO disclosed
EP-1322648-B1 3-(HETEROARYL ACETAMIDO)-2-OXO-AZETIDINE-1-SULFONIC ACIDS DERIVATIVES AS ANTIBACTERIAL AGENTS PANTHERIX LTD (GB) 2005-06-29 EP disclosed
US-20040019203-A1 3-(Heteroaryl acetamido)-2-oxo-azetidine-1-sulfonic acids derivatives as antibacterial agents REMPEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
EP-1322648-A1 3-(HETEROARYL ACETAMIDO)-2-OXO-AZETIDINE-1-SULFONIC ACIDS DERIVATIVES AS ANTIBACTERIAL AGENTS Pantherix Limited (GB) 2003-07-02 EP disclosed
EP-0979229-B1 2-OXO-1-AZETIDINE SULFONIC ACID DERIVATIVES AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2002-10-23 EP disclosed
WO-2002022613-A1 3-(HETEROARYL ACETAMIDO)-2-OXO-AZETIDINE-1-SULFONIC ACIDS DERIVATIVES AS ANTIBACTERIAL AGENTS PANTHERIX LIMITED (GB) 2002-03-21 WO disclosed
US-5888998-A INCREASE EFFECTIVENESS OF B-LACTAM ANTIBIOTICS SYNPHAR LABORATORIES, INC. (CA) 1999-03-30 US disclosed
EP-0251299-B1 Cephalosporin compounds, processes for their preparation and antibacterial agents KAKEN PHARMA CO LTD (JP) 1994-08-31 EP disclosed
US-4883879-A CHEMICAL INTERMEDIATES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4822786-A Cephalosporin compounds, and antibacterial agents KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0251299-A2 Cephalosporin compounds, processes for their preparation and antibacterial agents Kaken Pharmaceutical Co., Ltd. (JP) 1988-01-07 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 (4 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM COMT 1386/4885SRD5A2 4450/4885TEAD4 3932/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM COMT 1386/4885SRD5A2 4450/4885TEAD4 3932/4885
US-20040019203-A1 3-(Heteroaryl acetamido)-2-oxo-azetidine-1-sulfonic acids derivatives as antibacterial agents Q6ZSR9, SOS1, SOS2 COMT 3882/4885SRD5A2 761/4885TEAD4 3308/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM COMT 1386/4885SRD5A2 4450/4885TEAD4 3932/4885

“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.