SCHEMBL2236004

SCHEMBL2236004

CCCc1ccc2c(c1)CCc1c(CC(CCCN)C(=O)O)ncn1-2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 19/20 0.44
CPB1 P15086 1/20 0.44
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL12255867 1.00 CPB2 (0.44) CPB2CPB1HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL2235438 0.99 CPB2 (0.43) CPB2CPB1HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL2235430 0.99 CPB2 (0.43) CPB2CPB1HDAC1HDAC8HDAC6
SCHEMBL12255810 0.87 CPB2 (0.42) CPB2CPB1
SCHEMBL12255864 0.87 CPB2 (0.42) CPB2CPB1
SCHEMBL10293895 0.86 CPB2 (0.44) CPB2
Hydrochloric Acid SCHEMBL2233595 0.86 CPB2 (0.41) CPB2CPB1
Hydrochloric Acid SCHEMBL2233954 0.86 CPB2 (0.41) CPB2CPB1
Hydrochloric Acid SCHEMBL2236186 0.86 CPB2 (0.44) CPB2
SCHEMBL2238257 0.85 CPB2 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 CPB2 56/4885CPB1 50/4885HDAC1 238/4885

“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.