SCHEMBL4698951

SCHEMBL4698951

Cc1cc(NC(=O)OCC(Cl)(Cl)Cl)sn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL11169351 0.83 SMARCA2 (0.48) SMARCA2SMARCA4HTR2CHTR2AKMT2A
Hydrochloric Acid SCHEMBL5409508 0.75 SMARCA2 (0.46) SMARCA2SMARCA4HTR2CHTR2AKMT2A
SCHEMBL3763270 0.74 FFAR2 (0.39) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3772534 0.72 SMARCA2 (0.51) SMARCA2SMARCA4HTR2CHTR2AKMT2A
SCHEMBL4360351 0.71 ALDH1A1 (0.56) HTR2CSMN1; SMN2LMNAPKMALDH1A1
SCHEMBL7278026 0.71 MAPT (0.50) SMARCA2SMARCA4SMN1; SMN2NPC1MAPT
SCHEMBL6633482 0.71 SMARCA2 (0.50) SMARCA2SMARCA4HTR2CHTR2AKMT2A
SCHEMBL8064953 0.70 SMARCA2 (0.47) SMARCA2SMARCA4HTR2CHTR2AKMT2A
SCHEMBL11668320 0.70 SMARCA2 (0.47) SMARCA2SMARCA4HTR2CHTR2AKMT2A
SCHEMBL11129213 0.70 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ SMARCA2 4064/4885SMARCA4 4060/4885HTR2C 4762/4885

“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.