SCHEMBL3387914

SCHEMBL3387914

CCCC(CCC)CSc1cccc(/C=C/CNC(=O)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MTNR1A P48039 4/20 0.31
MTNR1B P49286 4/20 0.31
SLC6A19 Q695T7 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3387918 1.00 GAA (0.34) GAAALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL3390368 0.84 CYSLTR2 (0.40) GAAALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL3390377 0.84 CYSLTR2 (0.40) GAAALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL1710641 0.82 ALDH1A1 (0.35) GAAALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL1710636 0.82 ALDH1A1 (0.35) GAAALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL3387256 0.78 NAMPT (0.34) ALDH1A1TAS1R3TAS1R1L3MBTL1
SCHEMBL3387246 0.78 NAMPT (0.34) ALDH1A1TAS1R3TAS1R1L3MBTL1
SCHEMBL3388480 0.78 ALDH1A1 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL3388475 0.78 ALDH1A1 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL3390932 0.78 ALDH1A1 (0.40) ALDH1A1

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 GAA 456/4885ALDH1A1 314/4885TAS1R3 170/4885

“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.