SCHEMBL186238

SCHEMBL186238

CC[C@H](NC(C)=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
EPHX2 P34913 2/20 0.55
KMT2A Q03164 3/20 0.52
KCNA5 P22460 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
SLC6A9 P48067 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
TACR3 P29371 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL186416 1.00 LMNA (0.61) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL186230 1.00 LMNA (0.61) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL2022347 0.86 ALDH1A1 (0.63) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL3370482 0.86 ALDH1A1 (0.63) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL15093820 0.86 EPHX2 (0.65) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL3376152 0.86 ALDH1A1 (0.63) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL12707522 0.85 LMNA (0.58) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL12293909 0.85 LMNA (0.58) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL12707520 0.85 LMNA (0.58) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL184883 0.85 KMT2A (0.50) LMNAALDH1A1KDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
EP-2401260-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097465-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 WO disclosed
EP-1279660-B1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of an optically active transition metal complex containing a phosphine-phosphorane compound and rhodium TAKASAGO PERFUMERY CO LTD (JP) 2008-12-17 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-6855847-B2 Process for producing optically active amide from α β- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-15 US disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 EP 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-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 LMNA 3730/4885ALDH1A1 1510/4885KDM4E 4438/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 LMNA 4386/4885ALDH1A1 1079/4885KDM4E 2562/4885

“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.