SCHEMBL8278658

SCHEMBL8278658

CC(=O)c1cc(NC(=O)Cc2ccc(O)cc2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 8/20 0.56
▸ BCHE P06276 2/20 0.49
▸ ACHE P22303 2/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13602309 0.88 KMT2A (0.64) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL6577319 0.81 NLRP3 (0.59) NLRP3MEN1KMT2AALDH1A1LMNA
SCHEMBL13689451 0.80 KMT2A (0.42) NLRP3MEN1KMT2AALDH1A1LMNA
SCHEMBL24467940 0.79 NLRP3 (0.73) NLRP3BCHEACHEMEN1KMT2A
SCHEMBL13602308 0.77 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3783615 0.77 KCNJ5 (0.65) NLRP3MEN1KMT2AALDH1A1LMNA
SCHEMBL13602312 0.77 ITGB1 (0.47) MEN1KMT2AGAASMN1; SMN2
SCHEMBL8409860 0.75 NLRP3 (0.61) NLRP3BCHEACHEMEN1KMT2A
SCHEMBL6580500 0.75 EPHX2 (0.57) NLRP3BCHEACHEMEN1KMT2A
SCHEMBL6582469 0.74 ALDH1A1 (0.66) NLRP3MEN1KMT2AALDH1A1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 — — US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 — — US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 — — US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 — — US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 — — 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 NLRP3 1998/4885BCHE 4546/4885ACHE 3797/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B NLRP3 3560/4885BCHE 647/4885ACHE 3324/4885

“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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