SCHEMBL4186282

SCHEMBL4186282

O=C(NCC1CCCC1)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSG P08311 9/20 0.55
NPC1 O15118 1/20 0.55
CMA1 P23946 3/20 0.53
ACP3 P15309 2/20 0.53
MASP2 O00187 1/20 0.51
CNR1 P21554 6/20 0.48
CNR2 P34972 5/20 0.48
EPHX1 P07099 1/20 0.43
BCHE P06276 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
SCHEMBL4200589 0.99 NPC1 (0.56) CTSGNPC1CMA1ACP3MASP2
SCHEMBL4189774 0.89 CTSG (0.52) CTSGNPC1CMA1ACP3MASP2
SCHEMBL1614758 0.88 CTSG (0.56) CTSGNPC1CMA1ACP3MASP2
SCHEMBL31211679 0.86 CTSG (0.68) CTSGNPC1CMA1ACP3MASP2
SCHEMBL1613656 0.86 CTSG (0.68) CTSGNPC1CMA1ACP3MASP2
SCHEMBL6073103 0.84 NPC1 (0.53) CTSGNPC1CMA1ACP3CNR1
SCHEMBL1614368 0.83 CTSG (0.63) CTSGNPC1CMA1ACP3MASP2
SCHEMBL1614713 0.82 CTSG (0.62) CTSGNPC1CMA1ACP3MASP2
SCHEMBL8350432 0.80 CTSG (0.68) CTSGCMA1ACP3MASP2
SCHEMBL1613511 0.79 CTSG (0.51) CTSGCMA1ACP3MASP2BCHE

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-8247599-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-08-21 US claimed
US-20090118235-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US claimed
EP-1438316-B1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO MCNEIL PHARM INC (US) 2006-06-21 EP claimed
EP-1438316-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-21 EP claimed
US-20040082544-A1 Novel phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US claimed
US-20030195172-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N (US) 2003-10-16 US claimed
WO-2003035654-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040082544-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 CTSG 251/4885NPC1 2609/4885CMA1 137/4885
US-20030195172-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 CTSG 251/4885NPC1 2609/4885CMA1 137/4885
US-20090118235-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 CTSG 251/4885NPC1 2609/4885CMA1 137/4885

“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.