SCHEMBL9108746

SCHEMBL9108746

CC(C)(C)OC(=O)N1CCC([C@@H](CS(=O)(=O)Cl)Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.46
TGFBR1 P36897 1/20 0.43
STS P08842 1/20 0.42
TACR1 P25103 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 8/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP2 P08253 2/20 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
SCHEMBL9108738 1.00 MMP13 (0.46) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL14813406 0.91 MMP13 (0.46) MMP13TGFBR1STSTACR1MAPT
SCHEMBL1689452 0.91 MMP13 (0.46) MMP13TGFBR1STSTACR1MAPT
SCHEMBL9108211 0.87 MMP13 (0.45) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL9108220 0.87 MMP13 (0.45) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL9110045 0.86 DPP4 (0.45) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL9110055 0.86 DPP4 (0.45) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL1689415 0.85 MMP13 (0.43) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL9107353 0.85 MMP13 (0.45) MMP13TGFBR1STSTACR1EPHX2
SCHEMBL14837995 0.85 MMP13 (0.43) MMP13TGFBR1STSTACR1EPHX2

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-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 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 (2 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-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 MMP13 4193/4885TGFBR1 871/4885STS 419/4885
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 MMP13 4193/4885TGFBR1 871/4885STS 419/4885

“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.