SCHEMBL2642601

SCHEMBL2642601

COC(=O)c1cc(S(C)(=O)=O)ccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA2 P00918 3/20 0.43
PTGS2 P35354 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
STAT6 P42226 1/20 0.42
KCNH2 Q12809 1/20 0.42
BLM P54132 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8350642 0.83 LMNA (0.47) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL2642603 0.83 CA2 (0.61) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL1258694 0.81 LMNA (0.54) LMNATSHRALDH1A1PTGS2SMN1; SMN2
SCHEMBL2872060 0.81 LMNA (0.68) LMNATSHRALDH1A1PTGS2SMN1; SMN2
SCHEMBL21184279 0.81 LMNA (0.46) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL3220624 0.81 SMN1; SMN2 (0.57) LMNATSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL2642360 0.81 TSHR (0.58) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL2513198 0.81 ALDH1A1 (0.57) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL1809801 0.81 LMNA (0.46) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL17202427 0.81 LMNA (0.46) LMNATSHRALDH1A1CA2PTGS2

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
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK LMNA 4577/4885TSHR 2323/4885ALDH1A1 1558/4885

“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.