SCHEMBL7614449

SCHEMBL7614449

O=C(O)CCCC(c1ccncc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.40
ACP3 P15309 2/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
SLC6A3 Q01959 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL5134278 0.91 ACP3 (0.49) ACP3SLC6A3HDAC3MAPK1ADRA1A
SCHEMBL5053039 0.86 TBXAS1 (0.55) TBXAS1GRM8GRM4
SCHEMBL7613685 0.81 KDM4E (0.39) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL5051255 0.80 HDAC3 (0.38) ACP3SLC6A3HDAC3MAPK1ADRA1A
SCHEMBL7608849 0.80 CYP1A2 (0.47) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7614373 0.75 ACP3 (0.55) ACP3
SCHEMBL5058050 0.73 HDAC3 (0.41) ACP3SLC6A3HDAC3MAPK1ADRA1A
SCHEMBL5054481 0.72 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5134132 0.71 ANPEP (0.44) ACP3ANPEPERAP2ERAP1GRM8
SCHEMBL5058025 0.71 FOLH1 (0.41) SLC6A3HDAC3MAPK1ADRA1AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 TBXAS1 2983/4885ACP3 3/4885ANPEP 5/4885

“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.