SCHEMBL4355138

SCHEMBL4355138

Cc1ccc(C2=NNC3(S2)C(=O)N(Cc2ccccc2)c2ccc(C)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 1.00
▸ MMP12 P39900 1/20 0.68
▸ ADAMTS4 O75173 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL4354162 0.93 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4
SCHEMBL15928243 0.88 ADAMTS5 (0.78) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA
SCHEMBL15928247 0.88 ADAMTS5 (0.78) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA
SCHEMBL15928244 0.86 ADAMTS5 (0.76) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA
SCHEMBL14756572 0.81 ADAMTS5 (0.68) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA
SCHEMBL4356155 0.81 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4
SCHEMBL15928242 0.81 ADAMTS5 (0.76) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA
SCHEMBL4349695 0.80 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA
SCHEMBL14756565 0.79 ADAMTS5 (0.69) ADAMTS5MMP12ALDH1A1LMNAHPGD
SCHEMBL14756569 0.78 ADAMTS5 (0.71) ADAMTS5MMP12ALDH1A1LMNAHPGD

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 9 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-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO disclosed
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 — — EP disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — US disclosed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 — — 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 (2 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 26/4885ADAMTS4 4/4885
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 ADAMTS5 712/4885MMP12 3102/4885ADAMTS4 1124/4885

“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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