SCHEMBL2116235

SCHEMBL2116235

COC(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.61
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CASP6 P55212 1/20 0.51
TSHR P16473 1/20 0.51
HCAR3 P49019 2/20 0.51
LMNA P02545 1/20 0.50
CDC25B P30305 1/20 0.50
TPMT P51580 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL559830 0.90 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30525281 0.90 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
Methane SCHEMBL27578247 0.89 VCAM1 (0.62) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL161836 0.88 CASP6 (0.60) VCAM1HPGDALDH1A1CASP6TSHR
SCHEMBL1353346 0.88 VCAM1 (0.57) VCAM1HPGDALDH1A1NPSR1CASP6
SCHEMBL8000314 0.88 VCAM1 (0.61) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL1661691 0.86 VCAM1 (0.59) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL27946274 0.85 VCAM1 (0.56) VCAM1HPGDALDH1A1NPSR1TSHR
SCHEMBL8887611 0.85 VCAM1 (0.58) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL22897788 0.85 VCAM1 (0.58) VCAM1HPGDALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117527-B A kind of high barrier PET/PP film 苍南县宝丰印业有限公司 2019-02-15 CN claimed
CN-106432898-B A kind of high barrier composite membrane 苍南县宝丰印业有限公司 2019-01-15 CN claimed
CN-106046539-B A kind of double-layer coextrusion casting films 江苏求实塑业有限公司 2018-11-09 CN claimed
CN-105837810-B A kind of thermoplastic polyester and preparation method thereof for antibacterial film 苍南县宝丰印业有限公司 2018-09-14 CN claimed
CN-105860044-B A kind of thermoplastic polyester and preparation method thereof for film 台州市黄岩腾迪日用品有限公司 2018-08-28 CN claimed
CN-105860043-B A kind of thermoplastic polyester of antibacterial film and preparation method thereof 汕头市金立方包装实业有限公司 2018-06-19 CN claimed
CN-106005656-B A kind of packing box for cakes 苍南县宝丰印业有限公司 2018-02-06 CN claimed
CN-105837810-A Thermoplastic polyester for antibacterial film and preparation method for thermoplastic polyester 苍南县宝丰印业有限公司 2016-08-10 CN claimed
CN-117133924-A Base film material for composite current collector and preparation method and application thereof 安徽元琛环保科技股份有限公司 2023-11-28 CN disclosed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-05-12 US disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
CN-1066657-A Antimicrobial compounds ICI PLC (GB) 1992-12-02 CN disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 EP disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 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-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 VCAM1 2713/4885HPGD 156/4885ALDH1A1 102/4885
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 VCAM1 3798/4885HPGD 2621/4885ALDH1A1 1683/4885

“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.