Sugi Predict

Sugi Predict / Compounds / SCHEMBL2436076

SCHEMBL2436076

SCHEMBL2436076

Cc1ccc(-c2ccc(C[C@H](N)C[C@H](O)[C@H](Cc3ccccc3)N(C(=O)O)C(C)(C)C)cc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT1A1 P22309 3/20 0.34
▸ 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
▸ 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
▸ TPH1 P17752 4/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ HPGDS O60760 3/20 0.33
▸ GPR88 Q9GZN0 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
SCHEMBL2440909 0.88 UGT1A1 (0.44) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2435658 0.88 UGT1A1 (0.44) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2435554 0.88 UGT1A1 (0.44) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2438775 0.87 CNR1 (0.37) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2434993 0.85 TPH1 (0.36) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2441054 0.84 EPHX1 (0.41) ABCB1GPR88
SCHEMBL2434578 0.82 ROCK2 (0.39) GPR88
SCHEMBL2435747 0.82 CTRB1 (0.41) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL3097286 0.81 GPR88 (0.41) GPR88
SCHEMBL2438335 0.80 CYP3A4 (0.54) 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 7 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
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 — — EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 — — WO disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — 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 (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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 UGT1A1 1234/4885MLNR 4197/4885NR1I2 3744/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP UGT1A1 2307/4885MLNR 3723/4885NR1I2 3691/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP UGT1A1 2307/4885MLNR 3723/4885NR1I2 3691/4885

“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.