SCHEMBL4987474

SCHEMBL4987474

C=CCN1C(=O)C2(NN=C(c3ccccc3)S2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 14/20 0.64
▸ MMP12 P39900 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SLC27A2 O14975 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ ALPL P05186 1/20 0.43

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
SCHEMBL6274220 0.85 ADAMTS5 (0.72) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL14756569 0.80 ADAMTS5 (0.71) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL29429414 0.79 ADAMTS5 (0.64) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL14744656 0.79 ADAMTS5 (0.64) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL14756575 0.79 ADAMTS5 (0.70) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL15928247 0.79 ADAMTS5 (0.78) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL14744580 0.79 ADAMTS5 (0.62) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL6278160 0.79 ADAMTS5 (0.64) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL14756576 0.79 ADAMTS5 (0.62) ADAMTS5MMP12ALDH1A1MEN1KMT2A
SCHEMBL4351598 0.78 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1MEN1KMT2A

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-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — US 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 26/4885ALDH1A1 388/4885

“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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