SCHEMBL13228115

SCHEMBL13228115

CCOC(=O)C(C(=O)c1ccc(C)cc1)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MDM2 Q00987 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
KAT6A Q92794 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL13228092 0.87 MDM2 (0.45) MDM2
SCHEMBL3794747 0.87 PTGS2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL9366709 0.86 MAPT (0.49) MAPTPOLBRAB9ACES2CES1
SCHEMBL13261517 0.85 MDM2 (0.37) MAPTPOLBRAB9ACES2CES1
SCHEMBL13228098 0.84 HIF1A (0.41) RAB9ACES2CES1MEN1KMT2A
SCHEMBL13228080 0.81 LMNA (0.47) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL5747385 0.80 MMP8 (0.43) MAPTPOLBRAB9AMEN1KMT2A
SCHEMBL10850031 0.80 MAPT (0.44) MAPTPOLBRAB9ACES2CES1
SCHEMBL13228101 0.77 CES2 (0.46) CES2CES1MDM2MEN1KMT2A
SCHEMBL13228091 0.76 MAPT (0.42) MAPTPOLBRAB9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781592-B2 Thione derivative, method for the preparation thereof, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2010-08-24 US disclosed
US-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same CJC CORPORATION (KR) 2008-04-17 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-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same TPMT, TST, CYP3A5 MAPT 1185/4885POLB 2433/4885RAB9A 2509/4885

“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.