SCHEMBL3370637

SCHEMBL3370637

CCOC(=O)c1sc(-n2ccc(OCc3ccc(F)cc3)cc2=O)nc1C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.61
MCHR1 Q99705 5/20 0.51
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.46

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
SCHEMBL3368523 0.90 SCD (0.73) SCDMCHR1ALDH1A1KMT2AMEN1
SCHEMBL3370084 0.89 SCD (0.66) SCDMCHR1
SCHEMBL3370302 0.85 SCD (0.83) SCD
SCHEMBL3369215 0.84 SCD (0.63) SCDALDH1A1KMT2AKDM4EMEN1
SCHEMBL3371720 0.82 SCD (0.90) SCD
SCHEMBL3370656 0.82 SCD (0.90) SCD
SCHEMBL3371399 0.81 SCD (0.57) SCDALDH1A1KMT2AMEN1MAPT
SCHEMBL3372444 0.81 SCD (0.61) SCDALDH1A1KMT2AMEN1MAPT
SCHEMBL3367577 0.81 SCD (0.49) SCDMCHR1ALDH1A1KMT2AMEN1
SCHEMBL3369610 0.80 SCD (0.79) SCDMCHR1

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-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (2 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MCHR1 4714/4885ALDH1A1 451/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MCHR1 4714/4885ALDH1A1 451/4885

“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.