SCHEMBL21904660

SCHEMBL21904660

CN(C(=O)OCc1ccccc1)C1CC2(CC(O)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR5 P51681 1/20 0.42
ENPP2 Q13822 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL30942773 0.89 SIGMAR1 (0.49) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL21997212 0.89 SIGMAR1 (0.49) SIGMAR1ALDH1A1CCR5ENPP2MAPT
SCHEMBL27193533 0.86 SIGMAR1 (0.48) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL22001681 0.84 SIGMAR1 (0.45) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL21904679 0.84 SIGMAR1 (0.45) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL30865762 0.83 SIGMAR1 (0.53) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL22001668 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL4803972 0.82 SIGMAR1 (0.55) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL4805754 0.82 SIGMAR1 (0.55) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5
SCHEMBL4803965 0.82 SIGMAR1 (0.55) SIGMAR1ALDH1A1MAPK1L3MBTL1CCR5

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-10744136-B2 Sulfonamide derivatives as JAK inhibitors AVISTA PHARMA SOLUTIONS, INC. (US) 2020-08-18 US disclosed
US-10744136-B2 Sulfonamide derivatives as JAK inhibitors AVISTA PHARMA SOLUTIONS, INC. (US) 2020-08-18 US disclosed
US-20200138811-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-07 US disclosed
US-20200138811-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-07 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-20200138811-A1 Chemical Compounds JAK1, JAK3, JAK2 SIGMAR1 1726/4885ALDH1A1 1175/4885MAPK1 101/4885
US-10744136-B2 Sulfonamide derivatives as JAK inhibitors JAK1, JAK3, JAK2 SIGMAR1 946/4885ALDH1A1 1789/4885MAPK1 189/4885

“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.