SCHEMBL12894351

SCHEMBL12894351

Cc1ccc(C)c(OCc2ccccc2C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLCO1B3 Q9NPD5 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ SLCO1B1 Q9Y6L6 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
SCHEMBL28084205 0.88 CYP2C9 (0.47) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL12894347 0.88 FFAR4 (0.48) SMN1; SMN2NPC1RAB9AMAPTMRGPRX4
SCHEMBL8592978 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL12894376 0.85 MAPT (0.46) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL12894353 0.84 CDK4 (0.44) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL18241048 0.83 CYP2C9 (0.54) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL27814043 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL13794084 0.81 KDM4E (0.51) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL12894381 0.81 FFAR1 (0.39) SMN1; SMN2NPC1RAB9AMAPTMRGPRX4
SCHEMBL27434536 0.81 CYP2C9 (0.52) SMN1; SMN2NPC1RAB9ACYP2C9MAPT

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 SMN1; SMN2 658/4885NPC1 217/4885RAB9A 1288/4885

“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.

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