SCHEMBL3799951

SCHEMBL3799951

CCOC(=O)Cc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL27325890 0.90 GAA (0.41) GAAMGAMSIMGAM2MAPK1
SCHEMBL25664507 0.84 GAA (0.57) GAAMGAMSIMGAM2MAPK1
SCHEMBL19795488 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1HSD17B10HPGD
SCHEMBL16071553 0.80 ALDH1A1 (0.45) GAAALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL2691590 0.79 CYP4F2 (0.49) GAAMGAMSIMGAM2MAPK1
SCHEMBL7494802 0.79 NLRP3 (0.42) GAAMGAMSIMGAM2MAPK1
SCHEMBL26706608 0.79 LMNA (0.35) MAPK1HSD17B10LMNA
SCHEMBL21662950 0.78 TSHR (0.35) MAPK1KMT2A
SCHEMBL19795500 0.78 KDM4E (0.43) GAAMAPK1ALDH1A1KDM4ETDP1
SCHEMBL11249514 0.77 MEN1 (0.48) GAAMGAMSIMGAM2MAPK1

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 8 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
WO-2005051941-A1 THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2005-06-09 WO disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
US-5773236-A FLUORESCENT DYES FOR DETECTION OF ENZYMES FOR METABOLISM IN CELLS MOLECULE PROBES, INC. (US) 1998-06-30 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 GAA 2128/4885MGAM 2789/4885SI 645/4885

“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.