SCHEMBL4144945

SCHEMBL4144945

CC(C)OC(=O)c1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.60
CTSG P08311 8/20 0.49
ACP3 P15309 1/20 0.49
PTGER4 P35408 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MASP2 O00187 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL405682 0.91 CMA1 (0.63) CMA1CTSGACP3PTGER4MEN1
SCHEMBL4140309 0.85 CMA1 (0.67) CMA1CTSGACP3PTGER4MASP2
SCHEMBL1001231 0.81 CMA1 (0.70) CMA1CTSGACP3PTGER4CYP1A2
SCHEMBL409905 0.80 CMA1 (0.59) CMA1CTSGACP3KDM4E
SCHEMBL998827 0.80 CMA1 (0.68) CMA1CTSGACP3PRSS1PRSS2
SCHEMBL10260984 0.78 CMA1 (0.47) CMA1CTSGACP3PTGER4MEN1
SCHEMBL1078569 0.78 CTSG (0.75) CMA1CTSGACP3PTGER4MASP2
SCHEMBL998839 0.77 CTSG (0.58) CMA1CTSGACP3MASP2
SCHEMBL3654937 0.76 CMA1 (0.57) CMA1CTSGACP3PTGER4MEN1
SCHEMBL4135674 0.76 CMA1 (1.00) CMA1CTSGACP3MEN1KMT2A

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-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US 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 (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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CMA1 1/4885CTSG 166/4885ACP3 64/4885

“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.