SCHEMBL10146809

SCHEMBL10146809

CCOP(C)(=O)Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.56
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.42
NR1I2 O75469 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL1773883 0.85 ACP3 (0.57) ACP3HPGDKDM4ELMNACYP1A2
SCHEMBL915751 0.84 ACP3 (0.65) ACP3HPGDKDM4ELMNACYP1A2
SCHEMBL31688391 0.84 ACP3 (0.65) ACP3HPGDKDM4ELMNACYP1A2
SCHEMBL10146835 0.79 ACP3 (0.67) ACP3HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL18157316 0.78 LMNA (0.38) HPGDKDM4ELMNAKMT2ANR1I2
SCHEMBL18157324 0.78 KDM4E (0.37) ACP3HPGDKDM4ELMNANR1I2
SCHEMBL20710776 0.78 ACP3 (0.49) ACP3HPGDKDM4ELMNACYP1A2
SCHEMBL8167782 0.75 ACP3 (0.61) ACP3HPGDKDM4ELMNACYP1A2
SCHEMBL11752950 0.74 KDM4E (0.44) ACP3HPGDKDM4ELMNANR1I2
SCHEMBL10993027 0.74 HPGD (0.56) ACP3HPGDKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703957-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA NV (BE) 2014-04-22 US disclosed
US-20130281407-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES JANSSEN PHARMACEUTICA NV (BE) 2013-10-24 US disclosed
US-8497373-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2013-07-30 US disclosed
US-8461195-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-11 US disclosed
US-20120283221-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N (US) 2012-11-08 US disclosed
US-8304430-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-11-06 US disclosed
US-20120238528-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N (US) 2012-09-20 US disclosed
US-8212039-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-07-03 US disclosed
US-8207338-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-06-26 US disclosed
US-20110319363-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N (US) 2011-12-29 US disclosed
US-20110092457-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N 2011-04-21 US disclosed
US-20110092705-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2011-04-21 US disclosed
US-20110086819-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N 2011-04-14 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 (7 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-20110086819-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885
US-20110092457-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885
US-20130281407-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885
US-20120238528-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885
US-20110319363-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885
US-20110092705-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885
US-20120283221-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 ACP3 81/4885HPGD 919/4885KDM4E 4629/4885

“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.