Sugi Predict

Sugi Predict / Compounds / SCHEMBL6078045

SCHEMBL6078045

SCHEMBL6078045

CON(Cc1ccc(F)cc1F)C(=O)/C=C1/OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HCAR3 P49019 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HTR2A P28223 4/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL6077676 1.00 RIPK1 (0.37) RIPK1TAS2R14ALDH1A1MAOBTSHR
SCHEMBL6450854 0.90 SLC6A2 (0.34) ALDH1A1TSHRKDM4ESLC6A2SLC6A4
SCHEMBL6078106 0.90 SLC6A2 (0.34) ALDH1A1TSHRKDM4ESLC6A2SLC6A4
SCHEMBL6077281 0.88 KMT2A (0.37) RIPK1ALDH1A1MAOBKDM4EMEN1
SCHEMBL6077300 0.88 KMT2A (0.37) RIPK1ALDH1A1MAOBKDM4EMEN1
SCHEMBL6077533 0.88 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL6078853 0.88 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL6076301 0.88 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL6878066 0.88 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL6078684 0.87 DDR1 (0.31) ALDH1A1TSHR

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-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
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 — — EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 — — WO 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF RIPK1 2770/4885TAS2R14 4726/4885ALDH1A1 563/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 RIPK1 1438/4885TAS2R14 4569/4885ALDH1A1 976/4885

“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.