SCHEMBL21407110

SCHEMBL21407110

COc1ccc(S(=O)(=O)N(CCCC(O)c2ccc(F)cc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.58
CAMK2A Q9UQM7 2/20 0.55
CAMK2G Q13555 1/20 0.54
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BACE1 P56817 1/20 0.50
POLB P06746 1/20 0.50
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
ESR1 P03372 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NR3C1 P04150 2/20 0.47
PGR P06401 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL21424203 0.83 LMNA (0.48) KMT2APOLBLMNAMAPTALDH1A1
SCHEMBL21407108 0.81 BMP1 (0.67) BMP1CAMK2ACAMK2GKMT2ATSHR
SCHEMBL20314689 0.78 ESR1 (0.71) BMP1CAMK2ACAMK2GTSHRKEAP1
SCHEMBL21407106 0.76 BMP1 (0.77) BMP1CAMK2ACAMK2GBACE1KEAP1
SCHEMBL1631020 0.73 KEAP1 (0.87) KEAP1NFE2L2
SCHEMBL21424090 0.73 ALDH1A1 (0.62) KMT2APOLBLMNAMAPTALDH1A1
SCHEMBL7004444 0.73 BMP1 (0.71) BMP1CAMK2ACAMK2GTSHRKEAP1
SCHEMBL28728523 0.72 CNR1 (0.70) BMP1CAMK2AKMT2ATSHRMAPK1
Methane SCHEMBL22905269 0.72 BMP1 (0.60) BMP1CAMK2ACAMK2GTSHRBACE1
SCHEMBL7004297 0.71 KEAP1 (0.89) KEAP1NFE2L2

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-20190300475-A1 COMPOUNDS TO INHIBIT CALCIUM/CALMODULIN DEPENDENT PROTEIN KINASE II AND APPLICATIONS THEREOF ACADEMIA SINICA (TW) 2019-10-03 US disclosed
US-20190300475-A1 COMPOUNDS TO INHIBIT CALCIUM/CALMODULIN DEPENDENT PROTEIN KINASE II AND APPLICATIONS THEREOF ACADEMIA SINICA (TW) 2019-10-03 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-20190300475-A1 COMPOUNDS TO INHIBIT CALCIUM/CALMODULIN DEPENDENT PROTEIN KINASE II AND APPLICATIONS THEREOF CAMK2B, CAMK2G, CAMK2A BMP1 2771/4885CAMK2A 3/4885CAMK2G 2/4885

“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.