SCHEMBL4955147

SCHEMBL4955147

Cc1cccc2c1C(=O)C(CO)(c1c(C(=O)O)cccc1C(F)(F)F)CS2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.36
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MYC P01106 1/20 0.34
FABP4 P15090 4/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FABP3 P05413 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSS P25774 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
P2RX7 Q99572 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4957298 0.85 MYC (0.34) MYCFABP4KDM4EALDH1A1HPGD
SCHEMBL2155647 0.80 TAS2R14 (0.36) TAS2R14DHODHHDAC6MYCFABP4
SCHEMBL2157148 0.75 KDM4E (0.34) KDM4ETDP1
SCHEMBL2156805 0.73 MYC (0.34) MYCFABP4KDM4EALDH1A1GAA
SCHEMBL4957304 0.71 TAS2R14 (0.38) TAS2R14DHODHHDAC6MYCFABP4
SCHEMBL2156840 0.71 TDP1 (0.36) KDM4EALDH1A1GAAATMNPSR1
SCHEMBL2155835 0.70 CA1 (0.38) KMT2A
SCHEMBL2156425 0.65 LMNA (0.37) TAS2R14DHODHHDAC6FABP4ALDH1A1
SCHEMBL1966016 0.65 MYC (0.61) TAS2R14DHODHHDAC6MYCFABP4
Alcohol SCHEMBL28201640 0.63 LMNA (0.53) TAS2R14FABP4ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS TAS2R14 2696/4885DHODH 50/4885HDAC6 1761/4885

“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.