SCHEMBL5429957

SCHEMBL5429957

O=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1ccsc1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.43
CYP1A2 P05177 11/20 0.43
CYP2C9 P11712 8/20 0.43
USP2 O75604 8/20 0.43
TSHR P16473 7/20 0.43
CYP2C19 P33261 6/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 8/20 0.39
ALOX15 P16050 1/20 0.39
LIPE Q05469 1/20 0.37
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5427031 0.87 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5423718 0.82 TSHR (0.47) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5431852 0.81 PKM (0.47) TSHRALDH1A1SMN1; SMN2MEN1MAPK1
SCHEMBL5433821 0.81 CYP3A4 (0.46) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5418567 0.80 HSD11B1 (0.53) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5419790 0.80 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5419655 0.80 CYP3A4 (0.46) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5430012 0.79 CYP3A4 (0.54) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5425269 0.79 CYP3A4 (0.42) CYP3A4CYP1A2CYP2C9USP2TSHR
SCHEMBL5425692 0.79 LIPE (0.40) CYP3A4CYP1A2CYP2C9USP2TSHR

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-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 888/4885CYP1A2 909/4885CYP2C9 428/4885

“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.