SCHEMBL9908995

SCHEMBL9908995

O=C(CC1CCN(C(=O)c2cc3ccccc3cc2C(=O)C(c2cccc3ccccc23)P(=O)(O)O)CC1)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSG P08311 9/20 0.66
CMA1 P23946 3/20 0.66
MASP2 O00187 1/20 0.60
ACP3 P15309 1/20 0.56
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD4 P21917 2/20 0.40
HTR2C P28335 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
SCHEMBL4162691 0.85 CTSG (0.71) CTSGCMA1MASP2ACP3DRD4
SCHEMBL2748880 0.82 CTSG (0.65) CTSGCMA1MASP2ACP3
SCHEMBL1614578 0.81 CTSG (0.76) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1589329 0.81 CTSG (0.57) CTSGCMA1MASP2ACP3DRD4
SCHEMBL1614368 0.80 CTSG (0.63) CTSGCMA1MASP2ACP3NPC1
SCHEMBL31211679 0.80 CTSG (0.68) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1613656 0.80 CTSG (0.68) CTSGCMA1MASP2ACP3NPC1
SCHEMBL23752427 0.80 CTSG (0.82) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1614713 0.80 CTSG (0.62) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1260969 0.79 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497373-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2013-07-30 US disclosed
US-20120238528-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N (US) 2012-09-20 US disclosed
US-8207338-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-06-26 US disclosed
US-8198440-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-06-12 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-20120238528-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 CTSG 251/4885CMA1 137/4885MASP2 31/4885

“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.