SCHEMBL2491004

SCHEMBL2491004

COC(=O)CCCOc1ccnc(C(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.46
PDE3A Q14432 7/20 0.46
P2RY12 Q9H244 6/20 0.46
PDE2A O00408 2/20 0.45
MAPT P10636 1/20 0.44
DYRK1A Q13627 2/20 0.43
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL2492660 0.88 DYRK1A (0.46) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL526585 0.87 LTA4H (0.51) PDE3BPDE3AP2RY12DYRK1ALTA4H
SCHEMBL2491624 0.85 PDE4A (0.38) PDE3BPDE3AP2RY12LMNAALDH1A1
SCHEMBL14973529 0.81 LTA4H (0.39) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL526829 0.80 LTA4H (0.55) PDE3BPDE3AP2RY12MAPTLTA4H
SCHEMBL525627 0.79 DYRK1A (0.37) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL2493225 0.76 SMN1; SMN2 (0.48) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL2490562 0.75 CNR2 (0.37) PDE3BPDE3AMAPTDYRK1ALMNA
SCHEMBL21056504 0.73 CCR1 (0.55) DYRK1ALMNA
SCHEMBL14973568 0.73 KDM4E (0.45) LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404678-B2 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2013-03-26 US disclosed
EP-2170890-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2011-10-26 EP disclosed
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2170890-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009016516-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-05 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-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE TOMM34, TOMM70, TOMM40 PDE3B 4130/4885PDE3A 4150/4885P2RY12 4532/4885

“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.