SCHEMBL3080904

SCHEMBL3080904

C=CC(Br)[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](F)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PMP22 Q01453 1/20 0.38
HBB P68871 1/20 0.38
P2RY6 Q15077 3/20 0.37
P2RY2 P41231 2/20 0.37
P2RY4 P51582 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TK2 O00142 2/20 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
SCHEMBL3072348 0.90 PYGM (0.57) PYGMSMN1; SMN2TSHRLMNAMAPT
SCHEMBL766623 0.77 PYGM (0.45) PYGMSMN1; SMN2TSHRLMNAMAPT
SCHEMBL3066357 0.76 SMN1; SMN2 (0.45) PYGMSMN1; SMN2TSHRLMNAPMP22
SCHEMBL3071099 0.76 PYGM (0.55) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL3083986 0.76 PYGM (0.39) PYGMSMN1; SMN2TSHRLMNAMAPT
SCHEMBL3968336 0.76 PYGM (0.54) PYGMSMN1; SMN2TSHRLMNAMAPT
SCHEMBL3978675 0.76 PYGM (0.54) PYGMSMN1; SMN2TSHRLMNAMAPT
SCHEMBL368853 0.75 PYGM (0.77) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL4601745 0.75 PYGM (0.77) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL12642313 0.75 PYGM (0.77) PYGMP2RY6P2RY2P2RY4TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054406-B1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2015-10-07 EP disclosed
US-8492537-B2 Nucleosides for suppressing or reducing the development of resistance in cytostatic therapy RESPROTECT GMBH (DE) 2013-07-23 US disclosed
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotech GmbH (DE) 2010-09-09 US 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-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR PYGM 1888/4885SMN1; SMN2 1379/4885TSHR 3099/4885

“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.