SCHEMBL2456938

SCHEMBL2456938

CC(NS(=O)(=O)c1cccc2cnccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
PKM P14618 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
P2RX7 Q99572 3/20 0.47
FAAH O00519 2/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL9398442 0.97 P2RX7 (0.48) MAPK1PKMCA12CA1CA2
Hydrochloric Acid SCHEMBL9397170 0.85 P2RX7 (0.51) MAPK1PKMCA12CA1CA2
SCHEMBL2456939 0.84 CA12 (0.54) MAPK1PKMCA12CA1CA2
Hydrochloric Acid SCHEMBL9397163 0.84 MAPK1 (0.47) MAPK1PKMFAAHKDM4ETDP1
SCHEMBL9398450 0.82 P2RX7 (0.55) MAPK1PKMCA12CA1CA2
SCHEMBL9397253 0.81 MAPK1 (0.51) MAPK1PKMFAAHMEN1USP2
SCHEMBL9397246 0.79 PKM (0.53) MAPK1PKMFAAHKDM4EMEN1
SCHEMBL9397286 0.77 LMNA (0.63) MAPK1PKMKDM4EMEN1USP2
SCHEMBL9198824 0.76 PKM (0.51) MAPK1PKMFAAHKDM4EMEN1
SCHEMBL9397203 0.75 PRKD3 (0.61) MAPK1KDM4EMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340811-A Bronchodilator agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-08-23 US claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-5340811-A Bronchodilator agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-08-23 US disclosed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF MAPK1 4499/4885PKM 872/4885CA12 2731/4885

“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.