Sugi Predict

Sugi Predict / Compounds / SCHEMBL7057188

SCHEMBL7057188

SCHEMBL7057188

NCCC[N+]1(CC(=O)O)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ GABRR3 A8MPY1 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ GABBR2 O75899 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRR2 P28476 1/20 0.34
▸ SLC6A1 P30531 1/20 0.34
▸ GABRA5 P31644 1/20 0.34

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
SCHEMBL13865792 0.79 GPR84 (0.38) KMT2ATSHRHDAC11ALDH1A1MEN1
SCHEMBL8105509 0.73 KEAP1 (0.33) SMN1; SMN2
SCHEMBL6545644 0.73 CYP1A2 (0.34) KMT2ACYP1A2ALDH1A1MEN1CYP2D6
SCHEMBL15198860 0.66 CYP2D6 (0.36) CYP2D6
SCHEMBL439766 0.65 PABPC1 (0.46) KMT2ACYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL1415188 0.65 KEAP1 (0.35) SMN1; SMN2
SCHEMBL7594391 0.65 HPGD (0.47) ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL5092815 0.63 PABPC1 (0.45) KMT2ACYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL4192099 0.63 MEN1 (0.30) KMT2AALDH1A1MEN1
SCHEMBL18824429 0.62 AOC3 (0.33) KMT2ALMNACYP1A2ALDH1A1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 — — US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 — — US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 — — EP disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 — — US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 — — US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 — — EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 — — WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 — — 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM KMT2A 4783/4885LMNA 2347/4885THRB 4010/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM KMT2A 4783/4885LMNA 2347/4885THRB 4010/4885

“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.