SCHEMBL1646244

SCHEMBL1646244

CN(C)C(=O)Cc1cc(OC(=O)c2ccc(NC(=N)N)cc2)ccc1/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
KMT2A Q03164 3/20 0.38
F12 P00748 2/20 0.36
TMPRSS15 P98073 1/20 0.36
F2 P00734 4/20 0.35
KLK1 P06870 4/20 0.35
C1R P00736 2/20 0.35
F10 P00742 2/20 0.35
KLKB1 P03952 1/20 0.35
ACR P10323 1/20 0.35
HGFAC Q04756 3/20 0.35
TMPRSS2 O15393 2/20 0.35
HPN P05981 2/20 0.35
ADRA1A P35348 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC22A2 O15244 1/20 0.35
CTSL P07711 1/20 0.35
CNR1 P21554 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
SCHEMBL7308783 0.96 PRSS1 (0.41) PRSS1PRSS2PRSS3KMT2AF12
SCHEMBL7306882 0.80 PRSS1 (0.42) PRSS1PRSS2PRSS3KMT2AF12
SCHEMBL20008677 0.80 KMT2A (0.39) PRSS1PRSS2PRSS3KMT2AF12
SCHEMBL7612395 0.78 PRSS1 (0.42) PRSS1PRSS2PRSS3KMT2AF12
SCHEMBL11309396 0.78 PRSS1 (0.52) PRSS1PRSS2PRSS3KMT2ATMPRSS15
SCHEMBL11419446 0.75 MAPT (0.46) PRSS1KMT2AACRITGB3ITGA2B
SCHEMBL11419433 0.75 MAPT (0.46) PRSS1KMT2AACRITGB3ITGA2B
SCHEMBL11305428 0.74 PRSS1 (0.56) PRSS1PRSS2PRSS3KMT2ATMPRSS15
SCHEMBL1647138 0.73 KMT2A (0.40) PRSS1PRSS2PRSS3KMT2AF12
SCHEMBL1646246 0.72 POLB (0.46) PRSS1PRSS2PRSS3KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US claimed
US-20120208882-A1 Organic Compounds DANAHAY HENRY LUKE (GB) 2012-08-16 US disclosed
EP-2305639-A2 Organic compounds Novartis AG (CH) 2011-04-06 EP disclosed
EP-2253612-A1 Organic compounds Novartis AG (CH) 2010-11-24 EP disclosed
US-20090203777-A1 ORGANIC COMPOUNDS MAAS, JANET CATHERINE (GB) 2009-08-13 US disclosed
EP-1874726-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108643-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-10-19 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 (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-20120208882-A1 Organic Compounds CFTR, OTC, ASIC1 PRSS1 919/4885PRSS2 453/4885PRSS3 399/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 PRSS1 919/4885PRSS2 453/4885PRSS3 399/4885

“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.