SCHEMBL3088720

SCHEMBL3088720

CCC(CC)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
THRB P10828 2/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNH3 Q9ULD8 2/20 0.45
CA12 O43570 2/20 0.44
MMP2 P08253 1/20 0.44
KDM4E B2RXH2 3/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7937151 0.88 TDP1 (0.59) TDP1L3MBTL1ALDH1A1THRBTP53
SCHEMBL13675812 0.83 TDP1 (0.41) TDP1L3MBTL1ALDH1A1THRBTP53
SCHEMBL28770186 0.83 KCNH3 (0.41) TDP1L3MBTL1ALDH1A1THRBTP53
SCHEMBL13675808 0.83 TDP1 (0.41) TDP1L3MBTL1ALDH1A1THRBTP53
SCHEMBL18660140 0.82 MAPT (0.50) TDP1L3MBTL1ALDH1A1THRBTP53
SCHEMBL3150674 0.82 TDP1 (0.47) TDP1ALDH1A1KCNH3CA12MMP2
SCHEMBL8996215 0.80 TDP1 (0.46) TDP1ALDH1A1KCNH3CA12MMP2
SCHEMBL8996229 0.80 TDP1 (0.46) TDP1ALDH1A1KCNH3CA12MMP2
SCHEMBL8996237 0.79 MAPT (0.47) TDP1ALDH1A1CYP3A4KCNH3CA12
SCHEMBL8996084 0.79 MAPT (0.47) TDP1ALDH1A1CYP3A4KCNH3CA12

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
US-9758477-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2017-09-12 US disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 TDP1 4770/4885L3MBTL1 4273/4885ALDH1A1 617/4885

“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.