SCHEMBL12894381

SCHEMBL12894381

Cc1cc(Cl)c(OCc2ccccc2C(C)(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ MRGPRX4 Q96LA9 5/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CD274 Q9NZQ7 3/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ TP53 P04637 1/20 0.35

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
SCHEMBL12894376 0.87 MAPT (0.46) FFAR1FFAR4MRGPRX4NPC1RAB9A
SCHEMBL12894351 0.81 SMN1; SMN2 (0.46) FFAR1FFAR4MRGPRX4PTGDR2NPC1
SCHEMBL13794837 0.80 FFAR1 (0.44) FFAR1FFAR4MRGPRX4PTGDR2NPC1
SCHEMBL12894353 0.80 CDK4 (0.44) FFAR1FFAR4NPC1RAB9ASMN1; SMN2
SCHEMBL17616642 0.79 FFAR1 (0.40) FFAR1FFAR4MRGPRX4PTGDR2NPC1
SCHEMBL12894385 0.78 MAPT (0.46) FFAR1FFAR4MRGPRX4NPC1RAB9A
SCHEMBL12894383 0.78 CARM1 (0.45) MRGPRX4SMN1; SMN2RXRARXRBRXRG
SCHEMBL12894347 0.78 FFAR4 (0.48) FFAR1FFAR4MRGPRX4NPC1RAB9A
SCHEMBL12894363 0.77 KDM4E (0.44) RAB9ASMN1; SMN2TP53MAPT
SCHEMBL12894341 0.76 POLB (0.45) FFAR1FFAR4NPC1RAB9ASMN1; 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 FFAR1 1411/4885FFAR4 1804/4885MRGPRX4 360/4885

“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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