SCHEMBL29623988

SCHEMBL29623988

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.81
MLNR O43193 1/20 0.81
NR1I2 O75469 1/20 0.81
SLCO2B1 O94956 1/20 0.81
ABCB11 O95342 1/20 0.81
ABCB1 P08183 1/20 0.81
CCKAR P32238 1/20 0.81
OPRK1 P41145 1/20 0.81
GHSR Q92847 1/20 0.81
SLCO1B3 Q9NPD5 1/20 0.81
ABCG2 Q9UNQ0 1/20 0.81
SLCO1B1 Q9Y6L6 1/20 0.81
KCNH2 Q12809 1/20 0.58
CYP3A4 P08684 2/20 0.56
PSEN1 P49768 11/20 0.46
PSEN2 P49810 11/20 0.46
APH1B Q8WW43 11/20 0.46
NCSTN Q92542 11/20 0.46
APH1A Q96BI3 11/20 0.46
PSENEN Q9NZ42 11/20 0.46

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
SCHEMBL7404435 0.95 UGT1A1 (0.74) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7404029 0.95 UGT1A1 (0.74) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7407396 0.94 UGT1A1 (0.73) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL13241242 0.93 UGT1A1 (0.76) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL20455503 0.93 UGT1A1 (0.76) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL20455502 0.93 UGT1A1 (0.76) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL3541917 0.91 UGT1A1 (0.73) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL3541914 0.91 UGT1A1 (0.73) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL21565117 0.90 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL20629937 0.90 UGT1A1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250000821-A1 METHODS OF USING DIPIVEFRIN Insignis Therapeutics, Inc. 2025-01-02 US disclosed
CN-111565716-B Method of using dipivefrin 因斯格尼斯疗法有限公司 2023-06-09 CN disclosed
US-20220193010-A1 METHODS OF USING DIPIVEFRIN INSIGNIS THERAPEUTICS INC (US) 2022-06-23 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-20250000821-A1 METHODS OF USING DIPIVEFRIN QDPR, DNPEP, DPEP1 UGT1A1 2618/4885MLNR 43/4885NR1I2 4098/4885
US-20220193010-A1 METHODS OF USING DIPIVEFRIN QDPR, DNPEP, DPEP1 UGT1A1 2618/4885MLNR 43/4885NR1I2 4098/4885

“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.