SCHEMBL4098123

SCHEMBL4098123

O=C(O)NS(=O)(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HPGDS O60760 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CDK1 P06493 1/20 0.38
PFKFB3 Q16875 5/20 0.38
BRS3 P32247 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FADS1 O60427 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAE1 Q13564 2/20 0.37
UBA3 Q8TBC4 2/20 0.37

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
SCHEMBL7601995 0.87 BRS3 (0.39) DDB1CRBNHPGDSJAK2JAK1
SCHEMBL4116784 0.86 CA1 (0.41) DDB1CRBNHPGDSJAK2JAK1
SCHEMBL7602597 0.85 CA1 (0.49) DDB1CRBNHPGDSCDK1PFKFB3
Hydrochloric Acid SCHEMBL4097363 0.84 CA1 (0.48) DDB1CRBNHPGDSCDK1PFKFB3
SCHEMBL5131994 0.83 BRS3 (0.39) DDB1CRBNHPGDSJAK2JAK1
SCHEMBL3412817 0.82 SMN1; SMN2 (0.42) DDB1CRBNHPGDSCDK1PFKFB3
SCHEMBL4108477 0.82 KDM4E (0.40) DDB1CRBNJAK2JAK1TYK2
SCHEMBL3403165 0.82 KMT2A (0.48) HPGDSFADS1LMNAMAPT
SCHEMBL3414984 0.81 AURKA (0.41) DDB1CRBNHPGDSJAK2JAK1
SCHEMBL4109902 0.81 MAPT (0.44) DDB1CRBNHPGDSJAK2JAK1

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-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A DDB1 4738/4885CRBN 2795/4885HPGDS 2539/4885

“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.