SCHEMBL14073255

SCHEMBL14073255

O=C1COc2ccc(CNC(=O)c3cnc(O)nc3O)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ MMP8 P22894 7/20 0.50
▸ MMP13 P45452 6/20 0.50
▸ PARP1 P09874 3/20 0.50
▸ MAOA P21397 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL14073267 0.84 TSHR (0.56) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073329 0.83 TSHR (0.57) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073551 0.82 KMT2A (0.62) ALDH1A1KMT2AGAAMAPT
SCHEMBL14073276 0.80 TSHR (0.66) TSHRMMP8MMP13PARP1MAOA
SCHEMBL8198415 0.79 CYP1A2 (0.62) TSHRMMP8MMP13PARP1ALDH1A1
SCHEMBL14073360 0.79 HTR1A (0.56) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073312 0.78 TSHR (0.59) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14072985 0.78 TSHR (0.85) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073336 0.78 TSHR (0.67) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073133 0.78 TSHR (0.56) TSHRMMP8MMP13PARP1MAOA

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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 TSHR 4343/4885MMP8 28/4885MMP13 2/4885

“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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