SCHEMBL6831092

SCHEMBL6831092

CCOP(=O)(COCC#CCn1cnc2c(Cl)nc(N)nc21)OCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 17/20 0.44
HSP90AA1 P07900 16/20 0.44
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC4 P56524 1/20 0.42
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 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
SCHEMBL8400863 0.83 SLC22A6 (0.47) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL8709228 0.83 HSP90AB1 (0.47) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL6833575 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL6836050 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL6836055 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL23223510 0.77 FAP (0.48) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL17194161 0.77 FAP (0.48) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL14621498 0.76 SLC22A6 (0.46) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL20012285 0.75 HPRT1 (0.45) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL10511149 0.74 AHCY (0.57) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines AVENTIS PHARMACEUTICALS INC. 2004-04-08 US disclosed
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines CASARA PATRICK (FR) 2003-01-02 US disclosed
US-5922696-A VIRICIDES AGAINST DNA VIRUSES, RETROVIRUSES AND VIRUSES INVOLVED IN TUMOR FORMATION, CYTOMEGALOVIRUS, VARICELLA-ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HUMAN IMMUNODEFICIENCY VIRUSES MERRELL PHARMACEUTICALS INC. (US) 1999-07-13 US disclosed
US-5817647-A VIRICIDES; ANTITUMOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-10-06 US disclosed
EP-0701562-B1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL PHARMA INC (US) 1997-06-18 EP disclosed
EP-0701562-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
WO-1994022882-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-13 WO disclosed
EP-0618214-A1 Unsaturated phosphonate derivatives of purines and pyrimidines MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-05 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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP HSP90AB1 4181/4885HSP90AA1 4008/4885HDAC6 4823/4885
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP HSP90AB1 4181/4885HSP90AA1 4008/4885HDAC6 4823/4885

“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.