SCHEMBL3706545

SCHEMBL3706545

Cc1ccc(S(=O)(=O)n2cnc3c2CN(C(=O)O)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH3A1 P30838 1/20 0.42
HTT P42858 1/20 0.42
NOD1 Q9Y239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 1/20 0.39
PDK2 Q15119 1/20 0.38
CD4 P01730 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL3705537 0.85 HTR6 (0.43) KMT2AMEN1
SCHEMBL13505997 0.72 NAMPT (0.48) PDK2NPC1RAB9A
SCHEMBL29523070 0.70 PDK2 (0.41) PDK2
SCHEMBL3478091 0.68 HTR6 (0.45)
SCHEMBL6744907 0.68 KMT2A (0.70) POLBHTTGAAALDH1A1LMNA
SCHEMBL25439518 0.67 ALDH1A1 (0.36) HTTGAAALDH1A1LMNAUSP2
SCHEMBL29520201 0.66 GAA (0.45) HTTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL28948345 0.66 PDK2 (0.44) PDK2NPC1RAB9A
SCHEMBL28948249 0.65
SCHEMBL21815402 0.64 ALDH1A1 (0.57) GAAALDH1A1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 POLB 287/4885ALDH3A1 264/4885HTT 4623/4885

“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.