SCHEMBL4355104

SCHEMBL4355104

CC(=O)N1C(=O)C2(NN=C(c3ccccc3)S2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.72
▸ MMP12 P39900 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SLC27A2 O14975 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.45

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
SCHEMBL6277583 0.85 ADAMTS5 (0.65) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL4351598 0.84 ADAMTS5 (1.00) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL6274220 0.81 ADAMTS5 (0.72) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL4978954 0.81 ADAMTS5 (1.00) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL4983832 0.80 ADAMTS5 (1.00) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL4192767 0.76 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4987474 0.75 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL15928247 0.75 ADAMTS5 (0.78) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL15930573 0.75 ADAMTS5 (0.64) ADAMTS5MMP12HSD17B10MEN1ALDH1A1
SCHEMBL4981819 0.74 ADAMTS5 (0.66) ADAMTS5MMP12SMN1; SMN2ADAMTS4

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
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 — — EP claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — US claimed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 — — WO claimed
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — 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-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885MMP12 26/4885HSD17B10 1801/4885

“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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