SCHEMBL937784

SCHEMBL937784

C[C@@H](C=O)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
CTSK P43235 4/20 0.56
CTRB1 P17538 2/20 0.55
ELANE P08246 1/20 0.54
CTSL P07711 6/20 0.53
CTSB P07858 5/20 0.53
CTSS P25774 5/20 0.53
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53

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
SCHEMBL24187715 1.00 ATM (0.58) ATMCTSKCTRB1ELANECTSL
SCHEMBL937783 1.00 ATM (0.58) ATMCTSKCTRB1ELANECTSL
SCHEMBL937972 0.86 ATM (0.57) ATMCTSKCTRB1ELANECTSL
SCHEMBL10403288 0.86 ATM (0.57) ATMCTSKCTRB1ELANECTSL
SCHEMBL937973 0.86 ATM (0.57) ATMCTSKCTRB1ELANECTSL
SCHEMBL4394493 0.85 ATM (0.56) ATMCTSKCTRB1ELANECTSL
SCHEMBL2228854 0.85 ATM (0.56) ATMCTSKCTRB1ELANECTSL
SCHEMBL4394496 0.85 ATM (0.56) ATMCTSKCTRB1ELANECTSL
SCHEMBL18840086 0.84 CTSL (0.56) ATMCTSKCTRB1ELANECTSL
SCHEMBL8735231 0.84 CTSL (0.56) ATMCTSKCTRB1ELANECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220081422-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-17 US disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
WO-2017198717-A1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2017-11-23 WO disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
US-20160215007-A1 METHOD OF PRODUCING PYRAZINO[2,1-C][1,2,4]TRIAZINE COMPOUND PRISM PHARMA CO., LTD. (JP) 2016-07-28 US disclosed
US-20160215007-A1 METHOD OF PRODUCING PYRAZINO[2,1-C][1,2,4]TRIAZINE COMPOUND PRISM PHARMA CO., LTD. (JP) 2016-07-28 US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0074761-B1 PEPTIDE-TYPE SUBSTRATES USEFUL IN THE QUANTITATIVE DETERMINATION OF ENDOTOXIN WHITTAKER CORPORATION (US) 1985-12-27 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 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-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 ATM 3531/4885CTSK 3194/4885CTRB1 1570/4885
US-20220081422-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD ATM 2324/4885CTSK 3223/4885CTRB1 1664/4885
US-20160215007-A1 METHOD OF PRODUCING PYRAZINO[2,1-C][1,2,4]TRIAZINE COMPOUND TYMP, DTYMK, MTAP ATM 3070/4885CTSK 3182/4885CTRB1 3507/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ATM 2604/4885CTSK 228/4885CTRB1 191/4885
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD ATM 2878/4885CTSK 535/4885CTRB1 1530/4885

“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.