SCHEMBL12894355

SCHEMBL12894355

COc1ccccc1OCc1ccccc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.47
▸ APP P05067 1/20 0.47
▸ HTR1A P08908 4/20 0.46
▸ ADRA1D P25100 4/20 0.46
▸ ADRA1A P35348 4/20 0.46
▸ ADRA1B P35368 4/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ IDO1 P14902 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL12894339 0.87 ABCB1 (0.53) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL12894346 0.87 HTR1A (0.50) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL12894356 0.86 L3MBTL1 (0.50) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL12894345 0.83 PARP10 (0.48) ABCB1CA12CA1CA2CA7
SCHEMBL12894338 0.83 L3MBTL1 (0.50) ABCB1HTR1AALDH1A1MAPTRXRA
SCHEMBL12894353 0.83 CDK4 (0.44) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL12920480 0.82 RXRA (0.47) IDO1MAPTRXRARXRBRXRG
SCHEMBL12894337 0.81 MCL1 (0.49) HTR1AALDH1A1MAPTHTTRAB9A
SCHEMBL18161386 0.79 KDM4E (0.47) ALDH1A1NISCH
SCHEMBL12894342 0.79 MAPT (0.45) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879889-B2 administering (2S)-2-{[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino}-N-{5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl}pentanamide, for the treatment of Alzheimer's disease SANOFI-AVENTIS (FR) 2011-02-01 — — US disclosed
US-7879889-B2 administering (2S)-2-{[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino}-N-{5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl}pentanamide, for the treatment of Alzheimer's disease SANOFI-AVENTIS (FR) 2011-02-01 — — US disclosed
US-20090253753-A1 Therapeutic Use of Acylaminothiazole Derivatives SANOFI-AVENTIS (FR) 2009-10-08 — — US disclosed
US-20090253753-A1 Therapeutic Use of Acylaminothiazole Derivatives SANOFI-AVENTIS (FR) 2009-10-08 — — US disclosed
US-7563903-B2 Acylaminothiazole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2009-07-21 — — US 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-20090253753-A1 Therapeutic Use of Acylaminothiazole Derivatives ACAT1, GLS2, GLS ABCB1 85/4885APP 3427/4885HTR1A 1350/4885

“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