SCHEMBL14072952

SCHEMBL14072952

O=C1COc2cc(CNC(=O)c3cccc(=O)[nH]3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ CYP3A4 P08684 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PARP1 P09874 2/20 0.46
▸ MMP13 P45452 5/20 0.45
▸ MMP8 P22894 5/20 0.45
▸ MAOA P21397 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL8203527 0.91 TSHR (0.60) TSHRPARP1MMP13MMP8MAOA
SCHEMBL8201425 0.88 TSHR (0.46) TSHRCYP3A4CYP1A2CYP19A1CYP2D6
SCHEMBL8198417 0.78 MMP13 (0.57) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14073167 0.77 TSHR (0.61) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14073033 0.76 TSHR (0.76) TSHRCYP3A4CYP1A2CYP19A1CYP2D6
SCHEMBL8199923 0.76 MMP8 (0.55) TSHRCYP3A4CYP1A2CYP19A1CYP2D6
SCHEMBL14072990 0.76 TSHR (0.86) TSHRROCK2MMP13ALDH1A1KDM4E
SCHEMBL14073260 0.76 TSHR (0.60) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14072996 0.75 TSHR (0.61) TSHRCYP3A4CYP1A2CYP19A1CYP2D6
SCHEMBL14073225 0.74 TSHR (0.57) TSHRPARP1MMP13MMP8MAOA

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 4343/4885CYP3A4 376/4885CYP1A2 415/4885

“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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