SCHEMBL442484

SCHEMBL442484

CC(C)(C)OC(=O)N(C(=O)O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
POLQ O75417 1/20 0.35
NOTUM Q6P988 1/20 0.34
KAT6A Q92794 1/20 0.34
CTSS P25774 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
AKR1B1 P15121 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL463521 0.93 LMNA (0.43) LMNAPOLBEPHX2TAS1R3TAS1R1
SCHEMBL25389023 0.81 SSTR4 (0.33) CTSSKDM4EALDH1A1L3MBTL1
SCHEMBL25389158 0.79 NOTUM (0.37) NOTUMCTSSKDM4EALDH1A1L3MBTL1
SCHEMBL406445 0.76 MEN1 (0.34) LMNAPOLBKAT6AHTTL3MBTL1
SCHEMBL18147567 0.75 SSTR4 (0.31)
SCHEMBL18147566 0.74 SSTR4 (0.33) LMNAPOLBALDH1A1GAA
SCHEMBL23526242 0.73 MLYCD (0.36) EPHX2
SCHEMBL30302011 0.73 MLYCD (0.36) EPHX2
SCHEMBL27845827 0.73 CTSS (0.35) LMNAPOLBEPHX2TAS1R3TAS1R1
SCHEMBL25388467 0.73 RIPK1 (0.35) CTSSALDH1A1L3MBTL1GAA

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885EPHX2 570/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885EPHX2 570/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885EPHX2 570/4885

“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.