SCHEMBL4273531

SCHEMBL4273531

COc1cccc(C(=O)C(C)[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ CHRNA1 P02708 1/20 0.53
▸ CHRNG P07510 1/20 0.53
▸ CHRNB1 P11230 1/20 0.53
▸ CHRNB2 P17787 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ CHRND Q07001 1/20 0.53
▸ PARP1 P09874 1/20 0.53
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL4272837 0.84 ALDH1A1 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5218170 0.80 CES2 (0.67) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL7427631 0.80 CES2 (0.67) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL4273163 0.80 CA12 (0.47) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL20090393 0.79 CES2 (0.65) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL2599155 0.79 CES2 (0.65) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL15007434 0.79 CES2 (0.65) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL10740779 0.78 SLC6A2 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4272093 0.78 CES2 (0.51) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL9366959 0.78 CES2 (0.62) CES2CES1CHRNA1CHRNGCHRNB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910269-B1 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LAB PVT LTD (IN) 2013-09-18 — — EP claimed
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives AVRA LABORATORIES PVT. LTD. (IN) 2008-09-11 — — US claimed
EP-1910269-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES Avra Laboratories PVT. Ltd. (IN) 2008-04-16 — — EP claimed
WO-2007015259-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LABORATORIES PVT. LTD. (IN) 2007-02-08 — — WO claimed
CN-115925608-A High-efficiency preparation method of high-purity gamma-crystal indometacin 沈阳化工研究院有限公司 2023-04-07 — — CN disclosed
EP-1910269-B1 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LAB PVT LTD (IN) 2013-09-18 — — EP disclosed
US-7608740-B2 Method of synthesizing key intermediates for the production of camptothecin derivatives Avra Laboratories Pvt. Ltd (IN) 2009-10-27 — — US disclosed
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives AVRA LABORATORIES PVT. LTD. (IN) 2008-09-11 — — US disclosed
EP-1910269-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES Avra Laboratories PVT. Ltd. (IN) 2008-04-16 — — EP disclosed
WO-2007015259-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LABORATORIES PVT. LTD. (IN) 2007-02-08 — — 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 (1 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-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives DHPS, TOP2A, HCCS CES2 1018/4885CES1 1571/4885CHRNA1 4643/4885

“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.

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