SCHEMBL3889533

SCHEMBL3889533

CCCn1cnc(CC(CCCCN(Cc2ccccc2)C(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.56
CPB1 P15086 4/20 0.56
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PTGES O14684 3/20 0.37
ALOX5 P09917 3/20 0.37
PPARG P37231 3/20 0.37
CNR2 P34972 1/20 0.34

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
SCHEMBL3845420 0.93 CPB2 (0.46) CPB2CPB1HDAC3HDAC1HDAC2
SCHEMBL3841797 0.76 CPB2 (0.64) CPB2CPB1
SCHEMBL3839173 0.75 CPB2 (0.65) CPB2CPB1
SCHEMBL3839576 0.75 CPB2 (0.65) CPB2CPB1
SCHEMBL3858539 0.75 CPB2 (0.65) CPB2CPB1
SCHEMBL8367090 0.75 CPB2 (0.74) CPB2CPB1
SCHEMBL13617217 0.74 HDAC1 (0.39) CPB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL3841803 0.74 CPB2 (0.93) CPB2CPB1
SCHEMBL6378082 0.74 HDAC1 (0.49) HDAC3HDAC1HDAC2NCOR2PTGES
Uk-396,082 SCHEMBL3841442 0.73 CPB2 (1.00) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 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 (2 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 CPB2 234/4885CPB1 168/4885HDAC3 1555/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 CPB2 167/4885CPB1 181/4885HDAC3 2012/4885

“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.