SCHEMBL3077781

SCHEMBL3077781

Cc1ccc(S(=O)(=O)OC[C@@H]2C=C[C@H](n3cc(C=CBr)c(=O)[nH]c3=O)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
POLB P06746 1/20 0.44
ADRA1A P35348 1/20 0.44
BCHE P06276 15/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TK1 P04183 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TK2 O00142 2/20 0.42

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
SCHEMBL3078000 0.81 TK1 (0.52) BLMCYP1A2CYP3A4TSHRTK1
SCHEMBL3078002 0.81 TK1 (0.52) BLMCYP1A2CYP3A4TSHRTK1
SCHEMBL3072369 0.76 TK2 (0.54) BLMALDH1A1LMNAALBPOLB
SCHEMBL3072291 0.75 TK2 (0.65) BLMALDH1A1LMNAALBPOLB
SCHEMBL3079373 0.74 TK2 (0.47) BLMALDH1A1LMNAALBPOLB
SCHEMBL2584954 0.72 TK2 (0.47) LMNACYP1A2CYP3A4TSHRTK2
SCHEMBL2584957 0.72 TK2 (0.47) LMNACYP1A2CYP3A4TSHRTK2
SCHEMBL6713058 0.70 ALDH1A1 (0.71) BLMALDH1A1LMNAALBPOLB
SCHEMBL10446974 0.68 ALDH1A1 (0.71) BLMALDH1A1LMNAALBPOLB
SCHEMBL15259216 0.68 ALDH1A1 (0.71) BLMALDH1A1LMNAALBPOLB

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 BLM 1356/4885ALDH1A1 1238/4885LMNA 1868/4885

“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.