Sugi Predict

Sugi Predict / Compounds / SCHEMBL463521

SCHEMBL463521

SCHEMBL463521

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ CTSS P25774 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ P2RX7 Q99572 5/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ KAT6A Q92794 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
SCHEMBL442484 0.93 LMNA (0.40) LMNAPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL406445 0.82 MEN1 (0.34) LMNAPOLBKAT6A
SCHEMBL18147566 0.81 SSTR4 (0.33) LMNAPOLB
SCHEMBL25388467 0.79 RIPK1 (0.35) CTSS
SCHEMBL25736551 0.78 SSTR4 (0.32) —
SCHEMBL18160612 0.77 SSTR4 (0.32) —
SCHEMBL25389203 0.77 NOTUM (0.36) CTSSNOTUM
SCHEMBL27845827 0.77 CTSS (0.35) LMNAPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL18146553 0.76 NPSR1 (0.39) —
SCHEMBL30799444 0.75 MEN1 (0.35) LMNAPOLBCTSSHDAC8NOTUM

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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 — — WO disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — 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 (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 4705/4885TAS1R3 503/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885TAS1R3 503/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885TAS1R3 503/4885

“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.