Sugi Predict

Sugi Predict / Compounds / SCHEMBL7144477

SCHEMBL7144477

SCHEMBL7144477

CCOC(=O)CC(CCCCNC(=O)c1sc(N=C2N=CCCN2)nc1C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ F2 P00734 1/20 0.35
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ SCD O00767 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 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
Acetic Acid SCHEMBL7144681 0.90 ITGB3 (0.38) ALDH1A1LMNANPC1SMN1; SMN2HPGD
SCHEMBL7144479 0.83 ALDH1A1 (0.39) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL27492391 0.80 ALDH1A1 (0.39) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL7147848 0.75 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL7141440 0.74 LCK (0.54) ALDH1A1LMNAKDM4ENPSR1RXFP1
Hydrochloric Acid SCHEMBL7145462 0.73 CDC7 (0.46) ALDH1A1LMNAKDM4ENPSR1NPC1
Acetic Acid SCHEMBL7144685 0.72 ITGB3 (0.39) ALDH1A1NPC1SMN1; SMN2HPGDITGB3
SCHEMBL7305117 0.66 F2 (0.47) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL7140676 0.65 ITGB3 (0.51) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL7140672 0.65 ITGB3 (0.51) ALDH1A1LMNAKDM4ENPSR1RXFP1

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-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 — — US claimed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 — — US claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 — — EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 — — US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 — — US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 — — US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 — — US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 — — EP 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 (1 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ALDH1A1 1400/4885LMNA 3184/4885KDM4E 4278/4885

“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.