SCHEMBL3430939

SCHEMBL3430939

CC(C)=CCCC(C)=CCCC(C)=CCSCC(Nc1ccc(C(F)(F)F)cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ ICMT O60725 15/20 0.51
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL13760426 1.00 MAPT (0.54) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL12793306 1.00 MAPT (0.54) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL13760403 1.00 MAPT (0.54) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL12793308 0.93 ALDH1A1 (0.47) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL6522976 0.91 MAPT (0.45) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL6524261 0.89 MAPT (0.44) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL12847996 0.89 ITGB1 (0.43) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL12848183 0.89 ITGB1 (0.43) MAPTALDH1A1ICMTITGB1ITGA4
SCHEMBL6524871 0.88 MAPT (0.57) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL12793069 0.88 MAPT (0.57) MAPTALDH1A1ICMTMEN1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 — — US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 — — US disclosed
EP-2252277-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE Signum Biosciences, Inc. (US) 2010-11-24 — — EP disclosed
WO-2009102997-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2009-08-20 — — 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 (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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT MAPT 1682/4885ALDH1A1 2137/4885ICMT 326/4885

“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.

Send feedback