Sugi Predict

Sugi Predict / Compounds / SCHEMBL6076905

SCHEMBL6076905

SCHEMBL6076905

CN(Cc1cc(Cl)cc(Cl)c1)C(=O)/C=C1/OC(C)(C)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.42
▸ RIPK1 Q13546 1/20 0.34
▸ AOC3 Q16853 3/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL6076910 1.00 TACR1 (0.42) TACR1RIPK1AOC3PLAUPABPC1
SCHEMBL6414063 0.90 RIPK1 (0.47) TACR1RIPK1AOC3PABPC1ALDH1A1
SCHEMBL6414059 0.90 RIPK1 (0.47) TACR1RIPK1AOC3PABPC1ALDH1A1
SCHEMBL6077341 0.89 ALDH1A1 (0.46) AOC3ALDH1A1HTTRAB9ANPC1
SCHEMBL6077313 0.85 USP30 (0.47) USP30ALDH1A1
SCHEMBL6077308 0.85 USP30 (0.47) USP30ALDH1A1
SCHEMBL6420127 0.85 USP30 (0.39) TACR1RIPK1AOC3USP30ALDH1A1
SCHEMBL6420129 0.85 USP30 (0.39) TACR1RIPK1AOC3USP30ALDH1A1
SCHEMBL6419943 0.83 RIPK1 (0.38) RIPK1USP30ALDH1A1HTTMEN1
SCHEMBL6419940 0.83 RIPK1 (0.38) RIPK1USP30ALDH1A1HTTMEN1

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
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 — — US disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 — — US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 — — US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 — — WO disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 — — US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — 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 (4 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF TACR1 3895/4885RIPK1 2770/4885AOC3 4151/4885
US-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 TACR1 893/4885RIPK1 3528/4885AOC3 66/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TACR1 2127/4885RIPK1 3530/4885AOC3 124/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TACR1 2127/4885RIPK1 3530/4885AOC3 124/4885

“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.