SCHEMBL21187205

SCHEMBL21187205

CC(C)c1cnc(C(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
LMNA P02545 2/20 0.45
MMP1 P03956 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL20181862 0.82 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL2826499 0.80 ALDH1A1 (0.43) KMT2ATDP1LMNAALDH1A1L3MBTL1
SCHEMBL20173262 0.78 KMT2A (0.46) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL20175317 0.77 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL23682799 0.76 MMP2 (0.49) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL28526629 0.74 SLC7A5 (0.47) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL28938740 0.74 SLC7A5 (0.47) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL14570653 0.73 TDP1 (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20181865 0.71 KMT2A (0.51) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL21675673 0.71 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 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 (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-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KMT2A 4318/4885TDP1 719/4885SLC6A2 4408/4885

“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.