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SCHEMBL689245

SCHEMBL689245

COc1c(C(=O)O)cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.51
▸ PKM P14618 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AKR1C3 P42330 4/20 0.40

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
SCHEMBL1900976 0.87 ALDH1A1 (0.45) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL1303020 0.87 ALDH1A1 (0.46) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL12669724 0.87 ALDH1A1 (0.43) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL10320808 0.86 ALDH1A1 (0.43) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL688617 0.85 HPGD (0.44) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL689862 0.84 ALDH1A1 (0.54) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL16106449 0.84 KMT2A (0.49) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL16106448 0.84 KMT2A (0.49) TPMTPKMALDH1A1TSHRTDP1
SCHEMBL16106219 0.83 CTSD (0.44) TPMTALDH1A1TSHRTDP1HTT
SCHEMBL14155437 0.81 POLB (0.43) TPMTALDH1A1TSHRTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717162-A Urea derivatives as kinase inhibitors 奥苏拉收购有限公司 2021-11-30 — — CN disclosed
EP-2981535-B1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS TOPIVERT PHARMA LTD (GB) 2020-12-16 — — EP disclosed
US-10435361-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-08 — — US disclosed
US-20180044288-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-02-15 — — US disclosed
US-9890185-B2 Urea derivatives useful as kinase inhibitors RESPIVERT LIMITED (GB) 2018-02-13 — — US disclosed
US-9790174-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 — — US disclosed
US-20160376232-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-12-29 — — US disclosed
US-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-03 — — US disclosed
US-9481648-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2016-11-01 — — US disclosed
EP-3083604-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS Respivert Limited (GB) 2016-10-26 — — EP disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 — — WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 — — WO disclosed
EP-1692116-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 — — EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 — — EP disclosed
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-14 — — US disclosed
WO-2005056535-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 — — WO disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 — — US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 — — 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 (6 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A TPMT 994/4885PKM 4487/4885ALDH1A1 1019/4885
US-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS SYK, UACA, YES1 TPMT 1209/4885PKM 1890/4885ALDH1A1 2713/4885
US-20180044288-A1 KINASE INHIBITORS SYK, LYN, BTK TPMT 1262/4885PKM 1471/4885ALDH1A1 4408/4885
US-20160376232-A1 KINASE INHIBITORS LYN, SYK, LCK TPMT 2038/4885PKM 2689/4885ALDH1A1 3120/4885
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder IL1A, IL1R1, IL1RN TPMT 418/4885PKM 2713/4885ALDH1A1 406/4885
US-10435361-B2 Kinase inhibitors SYK, LYN, BTK TPMT 1262/4885PKM 1471/4885ALDH1A1 4408/4885

“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.