SCHEMBL4272093

SCHEMBL4272093

CC(C(=O)c1cccc(F)c1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.51
▸ CES1 P23141 2/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ CHRNB4 P30926 2/20 0.51
▸ CHRNA3 P32297 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ PARP1 P09874 1/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ POLB P06746 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 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
SCHEMBL4273163 0.82 CA12 (0.47) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL10740779 0.81 SLC6A2 (0.54) SLC6A2CHRNB4CHRNA3SLC6A3CHRNB2
SCHEMBL6081855 0.79 PGR (0.46) CES2CES1RAB9AALDH1A1NPC1
SCHEMBL8015553 0.79 CES2 (0.61) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL4273531 0.78 CES2 (0.56) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL2599161 0.78 CES2 (0.64) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL5883596 0.78 CES2 (0.59) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL15007480 0.78 CES2 (0.64) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL31351227 0.77 CES2 (0.54) CES2CES1SLC6A2CHRNB4CHRNA3
SCHEMBL312334 0.76 CES2 (0.57) CES2CES1SLC6A2CHRNB4CHRNA3

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-7608740-B2 Method of synthesizing key intermediates for the production of camptothecin derivatives Avra Laboratories Pvt. Ltd (IN) 2009-10-27 — — US 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
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 1571/4885SLC6A2 3138/4885

“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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