SCHEMBL2115514

SCHEMBL2115514

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(I)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.45
P2RY6 Q15077 6/20 0.41
P2RY14 Q15391 3/20 0.41
TYMP P19971 3/20 0.40
TK2 O00142 3/20 0.38
P2RY2 P41231 3/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
HBB P68871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TK1 P04183 1/20 0.34

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
SCHEMBL2112758 0.90 TYMP (0.40) TYMPTSHRLMNAMAPTPMP22
SCHEMBL2114242 0.89 PYGM (0.45) PYGMP2RY6TYMPTK2P2RY2
SCHEMBL2115511 0.89 PYGM (0.43) PYGMP2RY6P2RY14TK2P2RY2
SCHEMBL5086844 0.85 TK1 (0.47) TK1
SCHEMBL442715 0.84 P2RY14 (0.48) P2RY6P2RY14P2RY2
SCHEMBL9294173 0.83 TYMP (0.37) TYMPTK2TK1
SCHEMBL8197884 0.80 TYMP (0.62) PYGMP2RY6P2RY14TYMPP2RY2
SCHEMBL7264129 0.80 TYMP (0.62) PYGMP2RY6P2RY14TYMPP2RY2
SCHEMBL5134596 0.80 TK1 (0.40) TYMPTK2TK1
SCHEMBL8592454 0.79 RNASE1 (0.44) TYMPTK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 US disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
EP-1042345-B1 COMPOUNDS FOR MASS SPECTROMETRY COMPRISING NUCLEIC ACID BASES AND ARYL ETHER MASS MARKERS XZILLION GMBH & CO KG (DE) 2003-04-16 EP disclosed
EP-1095053-B1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS XZILLION GMBH & CO KG (DE) 2002-12-11 EP disclosed
US-6287780-B1 Compounds for mass spectrometry comprising nucleic acid bases and aryl ether mass markers BRAX GROUP LIMITED (GB) 2001-09-11 US disclosed
EP-1095053-A1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS Brax Group Limited (GB) 2001-05-02 EP disclosed
WO-2000002895-A1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS BRAX GROUP LIMITED (GB) 2000-01-20 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-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA PYGM 1390/4885P2RY6 3383/4885P2RY14 3427/4885

“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.