SCHEMBL8199923

SCHEMBL8199923

O=C1COc2cc(CNC(=O)c3nc4ncccc4c(=O)[nH]3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 8/20 0.55
▸ MMP13 P45452 8/20 0.55
▸ TSHR P16473 1/20 0.48
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP10 P09238 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL8188308 0.93 MMP8 (0.64) MMP8MMP13TSHRHCAR2MAOA
SCHEMBL8198417 0.87 MMP13 (0.57) MMP8MMP13TSHRMMP2MMP10
SCHEMBL13344171 0.82 MMP13 (0.54) MMP8MMP13TSHRMMP2MMP10
SCHEMBL13344180 0.82 MMP13 (0.54) MMP8MMP13TSHRMMP2MMP10
SCHEMBL8196886 0.82 MMP13 (0.54) MMP8MMP13TSHR
SCHEMBL13344182 0.82 MMP13 (0.54) MMP8MMP13TSHRMMP2MMP10
SCHEMBL13344210 0.80 MMP13 (0.53) MMP8MMP13TSHR
SCHEMBL8201008 0.80 MMP8 (0.65) MMP8MMP13TSHRMAOA
SCHEMBL13344185 0.80 MMP13 (0.59) MMP8MMP13TSHRMMP2MMP10
SCHEMBL8202177 0.80 MMP13 (0.62) MMP8MMP13TSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP8 5/4885MMP13 1/4885TSHR 4335/4885

“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.

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