SCHEMBL4447280

SCHEMBL4447280

CC(C)=CCSc1ccc(OC(F)(F)F)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
DYRK1A Q13627 1/20 0.34
AKR1C3 P42330 2/20 0.34
GPR3 P46089 3/20 0.34
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ERN1 O75460 1/20 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
SCHEMBL4438653 0.84 ERN1 (0.50) ERN1POLBLMNACYP1A2MAPT
SCHEMBL4437251 0.75 MTNR1A (0.41) FFAR4TRPA1CYP3A4MAPT
SCHEMBL4439253 0.75 ERN1 (0.45) HDAC1ERN1POLBICMTGMNN
SCHEMBL4439793 0.73 LMNA (0.47) HDAC1ERN1POLBICMTGMNN
SCHEMBL28558954 0.70 ERN1 (0.41) TGM2CHRM2CHRM1CHRM3DYRK1A
SCHEMBL17822065 0.70 GPR3 (0.41) TGM2CHRM2CHRM1CHRM3DYRK1A
SCHEMBL1211619 0.70 ERN1 (0.61) GPR3ERN1ADORA2APOLBMAPT
SCHEMBL29627452 0.70 ERN1 (0.61) GPR3ERN1ADORA2APOLBMAPT
SCHEMBL6500895 0.68 GPR3 (0.42) TGM2CHRM2CHRM1CHRM3GPR3
SCHEMBL2824893 0.68 GPR3 (0.42) GPR3FFAR4ERN1GMNNTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TGM2 1201/4885CHRM2 3164/4885CHRM1 3651/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TGM2 1201/4885CHRM2 3164/4885CHRM1 3651/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TGM2 1201/4885CHRM2 3164/4885CHRM1 3651/4885

“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.