SCHEMBL5433774

SCHEMBL5433774

O=C1N(Cc2ccc(Oc3ccccc3)cc2)CCC12CCCN(S(=O)(=O)c1ccc(F)cc1F)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
RIPK1 Q13546 2/20 0.39
AOC2 O75106 1/20 0.38
NR3C1 P04150 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SPR P35270 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HCRTR2 O43614 4/20 0.35
HCRTR1 O43613 3/20 0.35
PKM P14618 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
SCHEMBL5430024 0.93 RIPK1 (0.41) CCR3RIPK1NR3C1HDAC11ALDH1A1
SCHEMBL5428771 0.91 NR3C1 (0.39) CCR3RIPK1NR3C1ALDH1A1USP2
SCHEMBL5429579 0.86 PKM (0.39) CCR3RIPK1NR3C1HDAC11USP2
SCHEMBL5429847 0.84 LIPE (0.43) RIPK1NR3C1USP2CYP1A2CYP3A4
SCHEMBL5423453 0.84 NR3C1 (0.39) RIPK1NR3C1USP2CYP1A2CYP3A4
SCHEMBL5431821 0.83 LIPE (0.44) RIPK1NR3C1HDAC11USP2CYP1A2
SCHEMBL5422001 0.83 NR3C1 (0.43) RIPK1NR3C1USP2CYP1A2CYP3A4
SCHEMBL5438818 0.83 NR3C1 (0.42) RIPK1NR3C1ALDH1A1USP2CYP1A2
SCHEMBL5430020 0.82 MEN1 (0.44) RIPK1NR3C1ALDH1A1USP2CYP1A2
SCHEMBL5427073 0.82 MCOLN3 (0.48) NR3C1ALDH1A1USP2CYP1A2CYP3A4

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 CCR3 1310/4885RIPK1 3395/4885AOC2 2757/4885

“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.