SCHEMBL4408409

SCHEMBL4408409

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2F)C(CO)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
GPR119 Q8TDV5 4/20 0.42
HTR7 P34969 2/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
POLB P06746 2/20 0.40
STS P08842 1/20 0.40
KAT7 O95251 1/20 0.40
PKM P14618 2/20 0.40
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL15919233 0.87 MMP1 (0.46) MMP1MMP3MMP7MMP9GPR119
SCHEMBL15919232 0.87 MMP1 (0.46) MMP1MMP3MMP7MMP9GPR119
SCHEMBL17800494 0.86 MMP1 (0.53) MMP1MMP3MMP7MMP9GPR119
SCHEMBL21360309 0.80 SCN9A (0.46) GPR119JAK2JAK1
SCHEMBL15915752 0.80 ALOX5AP (0.69)
SCHEMBL15915753 0.80 ALOX5AP (0.69)
SCHEMBL14490331 0.80 MMP1 (0.57) MMP1MMP3MMP7MMP9GPR119
SCHEMBL11946505 0.80 STS (0.53) MMP1MMP3MMP7MMP9GPR119
SCHEMBL21623350 0.79 MAPT (0.49) F13A1TGM2TGM1POLB
SCHEMBL21624588 0.79 MAPT (0.49) F13A1TGM2TGM1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A MMP1 3543/4885MMP3 2539/4885MMP7 1206/4885

“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.