SCHEMBL5419790

SCHEMBL5419790

N#Cc1ccc(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.51
USP2 O75604 8/20 0.51
CYP1A2 P05177 8/20 0.51
CYP2D6 P10635 6/20 0.51
CTSG P08311 2/20 0.50
CMA1 P23946 2/20 0.50
TSHR P16473 7/20 0.47
CYP2C9 P11712 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP2C19 P33261 5/20 0.47
HIF1A Q16665 3/20 0.45
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
PAX8 Q06710 1/20 0.41
ALOX15 P16050 1/20 0.40
GBA1 P04062 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
SCHEMBL5431071 0.95 CYP3A4 (0.46) CYP3A4USP2CYP1A2CYP2D6CTSG
SCHEMBL5421659 0.90 MAPT (0.44) CYP3A4USP2CYP1A2CYP2D6CTSG
SCHEMBL5421695 0.90 USP2 (0.45) CYP3A4USP2CYP1A2CYP2D6CTSG
SCHEMBL5427031 0.89 CYP3A4 (0.55) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL5425174 0.89 CTSG (0.53) CYP3A4USP2CYP1A2CYP2D6CTSG
SCHEMBL5428147 0.87 CCR6 (0.48) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL5434972 0.87 NR3C1 (0.50) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL5429580 0.87 CCR6 (0.44) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL5429999 0.87 CCR6 (0.48) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL5429590 0.87 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2D6CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 US claimed
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP claimed
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 US disclosed
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 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-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 CYP3A4 888/4885USP2 4846/4885CYP1A2 909/4885

“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.