SCHEMBL3210223

SCHEMBL3210223

CS(=O)(=O)c1ccc2nn(-c3ccc4ccccc4c3)[n+]([O-])c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPBWR1 P48145 1/20 0.39
ATM Q13315 1/20 0.39
ALOX5 P09917 1/20 0.38
SCD O00767 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CBFB Q13951 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3217900 0.81 PTGS2 (0.40) PTGS2PTGS1NPC1RAB9A
SCHEMBL3278888 0.78 RAB9A (0.44) NPC1RAB9ANPBWR1ALDH1A1MAPT
SCHEMBL3220143 0.76 ATM (0.43) PTGS2PTGS1NPC1NPBWR1ATM
SCHEMBL758323 0.70 ATM (0.66) PTGS2NPC1RAB9AATMTSHR
SCHEMBL15624757 0.65 ATM (0.59) PTGS2ATMTSHRGAA
SCHEMBL3279656 0.64 TDP1 (0.41) NPC1RAB9AATMALDH1A1MAPT
SCHEMBL3279002 0.64 MAPT (0.40) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL3278869 0.64 NPC1 (0.45) NPC1RAB9AATMALDH1A1MAPT
SCHEMBL2602390 0.63 PTGS2 (0.56) PTGS2ALOX5
SCHEMBL3285209 0.63 NPC1 (0.65) NPC1RAB9AALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy BIOMARIN IGA LIMITED 2010-07-01 US claimed
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy BIOMARIN IGA LIMITED 2010-07-01 US disclosed
US-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-02-25 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-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SMN1; SMN2, CPT1B, GYS1 PTGS2 4079/4885PTGS1 2601/4885NPC1 2950/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN PTGS2 2866/4885PTGS1 2434/4885NPC1 2697/4885

“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.