SCHEMBL3581845

SCHEMBL3581845

COc1c(C=O)cccc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NFE2L2 Q16236 7/20 0.46
SRC P12931 1/20 0.46
TLR2 O60603 1/20 0.45
ERN1 O75460 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT1 Q99873 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
SCHEMBL14835744 0.87 PIM1 (0.43) CA1CA2NFE2L2SRCTLR2
SCHEMBL16952078 0.85 NFE2L2 (0.46) NFE2L2NPC1HPGDSMN1; SMN2MAOB
SCHEMBL26101336 0.84 ALDH1A1 (0.44) CA1CA2NFE2L2SRCTLR2
SCHEMBL1253039 0.81 CA1 (0.54) CA1CA2NFE2L2SRCTLR2
SCHEMBL1804090 0.80 ALDH1A1 (0.66) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL30251724 0.80 ALDH1A1 (0.46) SRCTLR2ERN1TLR1TLR6
SCHEMBL22322089 0.80 CA1 (0.53) CA1CA2NFE2L2SRCTLR2
SCHEMBL4683638 0.80 CA1 (0.53) CA1CA2NFE2L2SRCTLR2
SCHEMBL18112650 0.80 CA1 (0.53) CA1CA2NFE2L2SRCTLR2
SCHEMBL12283957 0.80 ALDH1A1 (0.46) SRCTLR2ERN1TLR1TLR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 CA1 3364/4885CA2 962/4885NFE2L2 3066/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 CA1 2974/4885CA2 1232/4885NFE2L2 3130/4885

“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.