SCHEMBL13895233

SCHEMBL13895233

C=CCOCCOC(=O)CCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
TSHR P16473 5/20 0.45
DGKA P23743 1/20 0.39
ALDH1A1 P00352 6/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 1/20 0.38
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
GABRA1 P14867 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
SCHEMBL13895238 0.89 TSHR (0.40) CYP1A2TSHRDGKAALDH1A1THRB
SCHEMBL3224284 0.89 TSHR (0.55) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL28617590 0.88 ALDH1A1 (0.42) CYP1A2TSHRDGKAALDH1A1THRB
SCHEMBL4277447 0.85 ALDH1A1 (0.45) TSHRDGKAALDH1A1THRBMAPT
SCHEMBL1614567 0.83 TSHR (0.61) CYP1A2TSHRDGKAALDH1A1THRB
SCHEMBL13895230 0.82 TSHR (0.40) TSHRDGKAALDH1A1THRBMAPT
SCHEMBL8824261 0.82 TSHR (0.42) TSHRALDH1A1THRBMAPTTP53
SCHEMBL13325750 0.81 TSHR (0.44) TSHRDGKAALDH1A1MAPTTP53
SCHEMBL7256465 0.81 ALDH1A1 (0.54) TSHRDGKAALDH1A1MAPTTP53
SCHEMBL28975255 0.81 TSHR (0.40) CYP1A2TSHRDGKAALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524977-B2 Process for producing fluoroalkanesulfonamide derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2009-04-28 US disclosed
US-20080058538-A1 Process for producing fluoroalkanesulfonamide derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2008-03-06 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-20080058538-A1 Process for producing fluoroalkanesulfonamide derivatives AFF1, AFF2, RER1 CYP1A2 346/4885TSHR 383/4885DGKA 3425/4885

“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.