SCHEMBL6506469

SCHEMBL6506469

CCOC(=O)c1cccc(N2CCC(OS(C)(=O)=O)CC2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.43
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
AOC3 Q16853 1/20 0.39
TP53 P04637 2/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2D Q13557 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL6502007 0.86 TSHR (0.45) LMNATTRTSHRMAPTAOC3
SCHEMBL6499370 0.83 PRKD3 (0.48) LMNATTRTSHRMAPTAOC3
SCHEMBL382523 0.77 MAPT (0.41) HCRTR2LMNATSHRMAPTKDM4E
SCHEMBL6500965 0.76 OPRK1 (0.51) MAPTMEN1KMT2AALDH1A1OPRK1
SCHEMBL6500593 0.76 ATM (0.51) LMNAMAPTTP53KMT2AALDH1A1
SCHEMBL377981 0.75 MEN1 (0.52) POLBTSHRMAPTMEN1KMT2A
SCHEMBL7467330 0.71 TSHR (0.70) POLBLMNATSHRMAPTTP53
SCHEMBL5723822 0.68 OGA (0.47) POLBLMNAMAPTKDM4EMEN1
SCHEMBL28965465 0.68 TSHR (0.61) HCRTR2LMNATSHRMAPTKDM4E
SCHEMBL28353455 0.68 TSHR (0.61) POLBLMNATSHRMAPTKDM4E

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 HCRTR2 1662/4885POLB 3533/4885LMNA 1586/4885

“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.