Sugi Predict

Sugi Predict / Compounds / SCHEMBL6077508

SCHEMBL6077508

SCHEMBL6077508

CON(CCc1ccc(F)cc1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ AOC3 Q16853 1/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL6078338 1.00 ALDH1A1 (0.36) ALDH1A1TSHRLMNASMN1; SMN2TAAR1
SCHEMBL6077698 0.94 ALDH1A1 (0.35) ALDH1A1TSHRLMNASMN1; SMN2CHRM5
SCHEMBL6448437 0.94 ALDH1A1 (0.35) ALDH1A1TSHRLMNASMN1; SMN2CHRM5
SCHEMBL6077512 0.89 ALDH1A1 (0.38) ALDH1A1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL6077514 0.89 ALDH1A1 (0.38) ALDH1A1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL6078542 0.81 ALDH1A1 (0.37) ALDH1A1TSHRLMNASMN1; SMN2TAAR1
SCHEMBL6077258 0.80 ALDH1A1 (0.36) ALDH1A1TSHRLMNAKMT2AL3MBTL1
SCHEMBL6079008 0.80 ALDH1A1 (0.36) ALDH1A1TSHRLMNAKMT2AL3MBTL1
SCHEMBL6870225 0.79 RIPK1 (0.36) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL6077017 0.79 RIPK1 (0.36) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1

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
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
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 — — WO 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 ALDH1A1 563/4885TSHR 4830/4885LMNA 3521/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 ALDH1A1 976/4885TSHR 4530/4885LMNA 2590/4885

“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.