SCHEMBL5674580

SCHEMBL5674580

CCC(C)(C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.47
NOS1 P29475 4/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL4656742 0.82 PTPRC (0.52) POLBALDH1A1TSHRLMNANPC1
SCHEMBL2814601 0.80 MAPT (0.55) POLBALDH1A1TSHRNOS1LMNA
SCHEMBL10886554 0.78 TSHR (0.52) POLBALDH1A1TSHRNOS1LMNA
SCHEMBL30954170 0.78 ESR1 (0.50) ALDH1A1TSHRLMNACA2
SCHEMBL5674606 0.78 MAPT (0.44) ALDH1A1TSHRLMNAMAPK1NPC1
SCHEMBL1767927 0.76 ALDH1A1 (0.49) POLBALDH1A1LMNAGAAMAPK1
SCHEMBL2030597 0.75 MAPT (0.59) LMNAHDAC3HDAC1HDAC2MAPT
SCHEMBL27932154 0.75 TSHR (0.57) POLBALDH1A1TSHRNOS1LMNA
SCHEMBL19286703 0.75 ALDH1A1 (0.54) POLBALDH1A1TSHRLMNAMAPK1
SCHEMBL6279071 0.75 ALDH1A1 (0.54) POLBALDH1A1LMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685473-A 5-alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2022-07-01 CN disclosed
US-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
CN-100537528-C 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2009-09-09 CN disclosed
EP-1658265-A4 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUENENTHAL GMBH (DE) 2006-11-29 EP disclosed
US-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2006-11-16 US disclosed
CN-1852891-A 4- (methylsulfonylamino) phenyl analogues as vanilloid antagonists with high analgesic activity and pharmaceutical compositions containing them GRUENENTHAL GMBH (DE) 2006-10-25 CN disclosed
EP-1658265-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Grünenthal GmbH (DE) 2006-05-24 EP disclosed
WO-2005003084-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUNENTHAL GMBH (DE) 2005-01-13 WO 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-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same TRPV1, TRPA1, GPR68 POLB 4815/4885ALDH1A1 2294/4885TSHR 1416/4885

“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.