SCHEMBL438417

SCHEMBL438417

CN(C(=O)c1cc2ccccc2cc1NC(=O)OP(C)(=O)Oc1cccc2ccccc12)C1CC=C(c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
CTSG P08311 3/20 0.36
MASP2 O00187 1/20 0.36
CMA1 P23946 1/20 0.35
TRPM4 Q8TD43 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
WNK1 Q9H4A3 1/20 0.32
PYGL P06737 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
BCL2L1 Q07817 1/20 0.31
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL438416 0.79 CTSG (0.51) PTGDR2CTSGMASP2CMA1
SCHEMBL8290032 0.76 CTSG (0.39) PTGDR2CTSGMASP2CMA1ALDH1A1
SCHEMBL4186408 0.72 CTSG (0.66) PTGDR2CTSGMASP2CMA1
SCHEMBL10316830 0.70 HTR1D (0.42) CTSGALDH1A1KDM4EPOLBMEN1
SCHEMBL10316812 0.68 HTR1D (0.40) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL10317160 0.68 CD274 (0.39) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL3700524 0.67 MEN1 (0.43) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL436837 0.66 DRD4 (0.44) CTSGMASP2ALDH1A1LMNAKDM4E
SCHEMBL10317183 0.66 MEN1 (0.36) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL3392335 0.65 PTGDR2 (0.36) PTGDR2HPGDSLC6A4KCNH2

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-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 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-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 PTGDR2 2517/4885CTSG 36/4885MASP2 40/4885

“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.