SCHEMBL4197085

SCHEMBL4197085

CCC(CC)(c1cccnc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.47
BTN3A1 O00481 1/20 0.47
PDE3A Q14432 1/20 0.47
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA5 P22460 2/20 0.41
CYP19A1 P11511 2/20 0.40
RIPK1 Q13546 1/20 0.38

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
SCHEMBL4197284 0.79 FDPS (0.46) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL9602511 0.79 FDPS (0.44) FDPSBTN3A1PDE3ALMNACYP1A2
Hydrogen Peroxide SCHEMBL8609891 0.78 PTPN1 (0.52) FDPS
SCHEMBL1556937 0.78 PTPN1 (0.52) FDPS
SCHEMBL9850885 0.77 LMNA (0.51) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL3390400 0.77 PGK1 (0.52)
Water SCHEMBL29532583 0.76 LMNA (0.50) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL7870277 0.76 PGK1 (0.44) FDPS
SCHEMBL13746036 0.75 FDPS (0.53) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL15038328 0.75 LMNA (0.49) FDPSBTN3A1PDE3ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE KLAR ULRICH 2009-01-15 US disclosed
US-7407975-B2 Epothilone derivatives, method for producing same and their pharmaceutical use BAYER SCHERING PHARMA AG (DE) 2008-08-05 US disclosed
EP-1847540-A1 Nouveaux dérivés d'épothilone, leur procédé de production et leur utilisation pharmaceutique Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
EP-1005465-B1 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-07-25 EP disclosed
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 US disclosed
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-07-31 US disclosed
EP-1161430-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2001-12-12 EP disclosed
WO-2000047584-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed
EP-1005465-A2 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-07 EP disclosed
WO-1999007692-A2 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 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 (3 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-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use PTGIS, PTGES, PTGES2 FDPS 55/4885BTN3A1 3657/4885PDE3A 786/4885
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A FDPS 2261/4885BTN3A1 1875/4885PDE3A 2775/4885
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE TUBB4A, TUBA1B, TUBB FDPS 1913/4885BTN3A1 1624/4885PDE3A 2497/4885

“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.