SCHEMBL3072846

SCHEMBL3072846

CCC(O)(CC)[C@H](Nc1nnc(-c2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c2ccccc12)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC2A1 P11166 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
SCHEMBL3066318 0.91 MTNR1A (0.35) HTTALDH1A1HPGD
SCHEMBL12792113 0.85 CCNE2 (0.41) GAAHTTGPR55KDM4EALDH1A1
SCHEMBL12792077 0.85 CCNE2 (0.41) GAAHTTGPR55KDM4EALDH1A1
SCHEMBL5325131 0.77 SOS1 (0.40) GPR55KDM4EALDH1A1HPGD
SCHEMBL5331797 0.77 NPC1 (0.45) HTTNPSR1ALDH1A1HPGD
SCHEMBL3072336 0.77 SOS1 (0.41) GPR55KDM4EALDH1A1HPGD
SCHEMBL5325178 0.76 MAPT (0.34) GAAHTTNPSR1GPR55
SCHEMBL13138600 0.76 ADORA2A (0.36) ALDH1A1SLC2A1
SCHEMBL3076140 0.74 ADORA2A (0.41) SLC2A1
SCHEMBL5331793 0.72 EGFR (0.33) ALDH1A1SLC2A1

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-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 GAA 3565/4885HTT 3950/4885NPSR1 2180/4885

“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.