SCHEMBL5891823

SCHEMBL5891823

CC[C@H](C)[C@H]1COCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
KLK7 P49862 5/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
KLK5 Q9Y337 4/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8886176 1.00 GLA (0.39) GLANR1H3NR1H2KLK7PLA2G10
SCHEMBL8073190 0.78 NR1H3 (0.36) NR1H3NR1H2KLK7PLA2G10PLA2G5
SCHEMBL8886431 0.78 NR1H3 (0.36) NR1H3NR1H2KLK7PLA2G10PLA2G5
SCHEMBL28713624 0.77 PTPN1 (0.38) GLANR1H3NR1H2USP2SMN1; SMN2
SCHEMBL8065158 0.77 NR1H3 (0.37) GLANR1H3NR1H2KLK7PLA2G10
SCHEMBL8886373 0.77 NR1H3 (0.37) GLANR1H3NR1H2KLK7PLA2G10
SCHEMBL8065148 0.77 NR1H3 (0.36) NR1H3NR1H2KLK7PLA2G10PLA2G5
SCHEMBL24700403 0.76 USP2 (0.39) GLAUSP2SMN1; SMN2CHRM2CHRM1
SCHEMBL23522781 0.76 USP2 (0.39) GLAUSP2SMN1; SMN2CHRM2CHRM1
SCHEMBL12901412 0.76 USP2 (0.39) GLAUSP2SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US disclosed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US disclosed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP disclosed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
EP-0812203-A4 INHIBITORS OF GERANYLGERANYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-04-14 EP disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed
EP-0812203-A1 INHIBITORS OF GERANYLGERANYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-12-17 EP disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 WO disclosed
US-5576293-A TETRAPEPTIDES, ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-19 US disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed
US-5470832-A Inhibitors of geranylgeranyl-protein transferase MERCK & CO., INC. (US) 1995-11-28 US disclosed
WO-1995020396-A1 INHIBITORS OF GERANYLGERANYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-08-03 WO disclosed
WO-1995009001-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 WO disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 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-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR GLA 956/4885NR1H3 390/4885NR1H2 647/4885

“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.