SCHEMBL3450810

SCHEMBL3450810

Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
CNR1 P21554 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47

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
SCHEMBL9320042 0.83 GSTO1 (0.55) TSHRSMN1; SMN2ALDH1A1MAPTCNR1
SCHEMBL16345591 0.82 LMNA (0.54) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1592716 0.82 ALDH1A1 (0.61) LMNASMN1; SMN2ALDH1A1MAPTCNR1
SCHEMBL1913783 0.82 ACHE (0.49) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL17774646 0.81 MAPT (0.60) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL10126715 0.79 ALDH1A1 (0.66) LMNATSHRSMN1; SMN2ALDH1A1CNR1
SCHEMBL23847020 0.78 ALDH1A1 (0.63) LMNATSHRALDH1A1NPC1KMT2A
SCHEMBL17774640 0.78 ALDH1A1 (0.45) LMNATSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL4717858 0.78 LMNA (0.70) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL30511773 0.78 ALDH1A1 (0.63) LMNATSHRALDH1A1NPC1KMT2A

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD LMNA 1717/4885TSHR 4310/4885SMN1; SMN2 3328/4885

“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.