SCHEMBL2436778

SCHEMBL2436778

CC(C)(C)C(c1ccccc1)[C@H](NC(=O)O)[C@H]1CC(Cc2ccc(-c3ccccn3)cc2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
SLCO2B1 O94956 1/20 0.34
ABCB11 O95342 1/20 0.34
ABCB1 P08183 1/20 0.34
UGT1A1 P22309 1/20 0.34
CCKAR P32238 1/20 0.34
OPRK1 P41145 1/20 0.34
GHSR Q92847 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
RAB9A P51151 1/20 0.34
BRS3 P32247 2/20 0.33
GAA P10253 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DAGLB Q8NCG7 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL2438075 1.00 MLNR (0.34) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL2436517 0.85 NPSR1 (0.34) RAB9ACYP3A4
SCHEMBL3797429 0.82 DPP4 (0.38) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL3803345 0.82 DPP4 (0.38) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL2438073 0.75 UGT1A1 (0.39) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL2436776 0.75 UGT1A1 (0.39) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL3743645 0.68 HPGD (0.40) GAA
SCHEMBL718202 0.68 HPGD (0.40) GAA
SCHEMBL1044376 0.68 HPGD (0.40) GAA
SCHEMBL3103010 0.68 HPGD (0.40) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 MLNR 4197/4885NR1I2 3744/4885SLCO2B1 3486/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MLNR 3723/4885NR1I2 3691/4885SLCO2B1 3853/4885

“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.