SCHEMBL29907670

SCHEMBL29907670

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccn(-c2ccccc2OCC(F)(F)F)c1=O

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.83
RORC P51449 2/20 0.49
MLYCD O95822 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
S1PR1 P21453 1/20 0.40
AXL P30530 2/20 0.40
MET P08581 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29907685 0.91 UGCG (0.69) UGCGRORCNPSR1AXLMET
SCHEMBL29907592 0.91 UGCG (1.00) UGCGNPSR1S1PR1AXLMET
SCHEMBL29907476 0.90 UGCG (0.81) UGCGNPSR1AXLMETTYRO3
SCHEMBL24464224 0.87 UGCG (0.81) UGCGNPSR1S1PR1AXLNPC1
SCHEMBL29907485 0.87 UGCG (0.78) UGCGNPC1KMT2ASMN1; SMN2MAPT
SCHEMBL29907364 0.85 UGCG (0.80) UGCGNPSR1AXLMETNPC1
SCHEMBL29907361 0.85 UGCG (0.89) UGCGAXLMETTYRO3MERTK
SCHEMBL24464290 0.85 UGCG (0.89) UGCGAXLMETTYRO3MERTK
SCHEMBL29907405 0.84 UGCG (0.65) UGCGRORCAXLMETTYRO3
SCHEMBL29907554 0.84 UGCG (0.72) UGCGNPSR1S1PR1AXLMET

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-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885RORC 4397/4885MLYCD 1664/4885

“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.