SCHEMBL5090163

SCHEMBL5090163

Cc1cc(C)n(CCOC(N)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GLS O94925 1/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.43
GLA P06280 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
SCHEMBL27771434 0.85 KDM4E (0.55) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL20097519 0.79 LMNA (0.52) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL18717788 0.78 TSHR (0.49) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL17489172 0.77 GLS (0.62) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL8270904 0.75 GLS (0.60) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL21806760 0.74 KDM4E (0.58) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL17489160 0.74 GLS (0.75) KDM4ELMNAALDH1A1GLSPKM
SCHEMBL4522189 0.74 LMNA (0.70) KDM4ELMNAALDH1A1GLSPKM
SCHEMBL325089 0.73 GLS (0.53) TSHRKDM4ELMNAALDH1A1GLS
SCHEMBL855066 0.73 KDM4E (0.81) TSHRKDM4ELMNAALDH1A1GLS

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-2895482-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-07-22 EP claimed
CN-104755475-A Hiv protease inhibitors MERCK SHARP & DOHME 2015-07-01 CN claimed
WO-2014043019-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-03-20 WO claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 TSHR 3086/4885KDM4E 4732/4885LMNA 3126/4885

“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.