SCHEMBL4269443

SCHEMBL4269443

CCC(C(=O)OC)N(Cc1ccccc1)c1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PTGIR P43119 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
EPOR P19235 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPA Q15257 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL4271198 0.88 NR1H4 (0.38) UBE2MDCUN1D1MAPTHTTPTGIR
SCHEMBL4272537 0.87 UBE2M (0.42) UBE2MDCUN1D1PTGIRALDH1A1TSHR
SCHEMBL4272601 0.87 UBE2M (0.42) UBE2MDCUN1D1PTGIRALDH1A1TSHR
SCHEMBL13657717 0.85 ATM (0.41) UBE2MDCUN1D1PTGIRALDH1A1TSHR
SCHEMBL27667591 0.83 UBE2M (0.46) UBE2MDCUN1D1ALDH1A1
SCHEMBL4276126 0.80 ALDH1A1 (0.42) UBE2MDCUN1D1PTGIRALDH1A1
SCHEMBL4276122 0.80 ALDH1A1 (0.42) UBE2MDCUN1D1PTGIRALDH1A1
SCHEMBL4268261 0.80 UBE2M (0.43) UBE2MDCUN1D1PTGIRALDH1A1TSHR
SCHEMBL4268265 0.80 UBE2M (0.43) UBE2MDCUN1D1PTGIRALDH1A1TSHR
SCHEMBL4270761 0.79 UBE2M (0.42) UBE2MDCUN1D1PTGIRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US claimed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US claimed
EP-1730099-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2008-03-12 EP claimed
EP-1730099-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-12-13 EP claimed
WO-2005092011-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO claimed
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
EP-1730099-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2008-03-12 EP disclosed
EP-1730099-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005092011-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-10-06 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-20080234281-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B UBE2M 2628/4885DCUN1D1 1388/4885MAPT 252/4885

“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.