SCHEMBL6444141

SCHEMBL6444141

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(OCC(C)C)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.57
MLNR O43193 1/20 0.57
NR1I2 O75469 1/20 0.57
SLCO2B1 O94956 1/20 0.57
ABCB11 O95342 1/20 0.57
ABCB1 P08183 1/20 0.57
CCKAR P32238 1/20 0.57
OPRK1 P41145 1/20 0.57
GHSR Q92847 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
CTSD P07339 2/20 0.53
CTSE P14091 1/20 0.53
PGC P20142 1/20 0.53
PSEN1 P49768 6/20 0.48
PSEN2 P49810 6/20 0.48
APH1B Q8WW43 6/20 0.48
NCSTN Q92542 6/20 0.48
APH1A Q96BI3 6/20 0.48

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
SCHEMBL6444603 1.00 UGT1A1 (0.57) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444535 0.93 CTSD (0.51) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444530 0.93 CTSD (0.51) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444632 0.92 CTSD (0.62) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444634 0.92 CTSD (0.62) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444918 0.92 UGT1A1 (0.58) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444921 0.92 UGT1A1 (0.58) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6445586 0.91 UGT1A1 (0.58) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6445589 0.91 UGT1A1 (0.58) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444944 0.91 CTSD (0.52) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-6855848-B2 Process for preparing bisallylboranes and nonaromatic boronic acids CLARIANT GMBH (DE) 2005-02-15 US disclosed
US-6706925-B2 REACTING A DIENE WITH SODIUM BOROHYDRIDE IN THE PRESENCE OF AN OXIDANT AND IN AN INERT SOLVENT, WITH THE BORANE GENERATED IN SITU REACTING SELECTIVELY WITH THE DIENE TO FORM THE BIS(ALLYL)BORANE CLARIANT GMBH (DE) 2004-03-16 US disclosed
US-20040039233-A1 Process for preparing bisallylboranes and nonaromatic boronic acids CLARIANT GMBH 2004-02-26 US disclosed
US-20030096995-A1 Process for preparing bisallylboranes and nonaromatic boronic acids CLARIANT GMBH 2003-05-22 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 (3 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 UGT1A1 3979/4885MLNR 4496/4885NR1I2 1183/4885
US-20030096995-A1 Process for preparing bisallylboranes and nonaromatic boronic acids HBS1L, CBR1, RER1 UGT1A1 1433/4885MLNR 4096/4885NR1I2 1907/4885
US-20040039233-A1 Process for preparing bisallylboranes and nonaromatic boronic acids HBS1L, CBR1, RER1 UGT1A1 1433/4885MLNR 4096/4885NR1I2 1907/4885

“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.