SCHEMBL3090354

SCHEMBL3090354

O=C(O)NCc1cnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL17252910 0.83 NPSR1 (0.42) —
SCHEMBL8773843 0.74 — —
SCHEMBL1998849 0.72 — —
SCHEMBL20497328 0.72 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17310768 0.71 — —
SCHEMBL20972944 0.71 CYP1A2 (0.40) CYP1A2CYP2C9TSHR
SCHEMBL4788962 0.70 NPC1 (0.37) —
SCHEMBL10405093 0.70 HSD17B10 (0.32) —
SCHEMBL22501775 0.69 KDM4C (0.51) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL23948654 0.68 — —

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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 — — US disclosed
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 — — WO disclosed
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 — — WO disclosed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 — — 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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP11, MMP13 CYP1A2 254/4885CYP2D6 604/4885CYP2C9 223/4885

“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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