SCHEMBL25211504

SCHEMBL25211504

Cc1nc(C(F)(F)F)ccc1OCCBr

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
S1PR4 O95977 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
PDE4B Q07343 6/20 0.36
KDM4E B2RXH2 1/20 0.35
CXCR4 P61073 1/20 0.35
GAA P10253 1/20 0.34
SYK P43405 5/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 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
SCHEMBL30469190 1.00 TGFBR1 (0.38) TGFBR1S1PR4AAK1PDE4BKDM4E
SCHEMBL12958179 0.83 MCHR1 (0.40) TGFBR1S1PR4AAK1PDE4BKDM4E
SCHEMBL2127198 0.78 S1PR4 (0.57) S1PR4KDM4ENPC1RAB9ALMNA
SCHEMBL5211096 0.76 NCF1 (0.48)
SCHEMBL20869211 0.75 PDE4B (0.48) TGFBR1PDE4BKDM4ECXCR4LMNA
SCHEMBL24975462 0.75 SMN1; SMN2 (0.52) SYKNPC1RAB9ALMNA
SCHEMBL24975461 0.74 AAK1 (0.35) TGFBR1AAK1PDE4BSYK
SCHEMBL4484041 0.70 KDM4E (0.39) KDM4ECXCR4GAANPC1RAB9A
SCHEMBL25601599 0.70 PDE4B (0.39) TGFBR1PDE4BKDM4ECXCR4GAA
SCHEMBL15473270 0.69 PDE5A (0.39) AAK1PDE4BKDM4EGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 TGFBR1 4359/4885S1PR4 102/4885AAK1 3230/4885

“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.