SCHEMBL10098452

SCHEMBL10098452

NC(=O)CCC(N)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.46
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ NR1H3 Q13133 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ XIAP P98170 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
SCHEMBL16103649 1.00 DPP7 (0.46) DPP7HDAC3HDAC1HDAC2HDAC8
SCHEMBL27937149 0.84 POLB (0.43) DPP7HDAC3HDAC1HDAC2HDAC8
SCHEMBL8033966 0.80 HDAC3 (0.50) DPP7HDAC3HDAC1HDAC2HDAC8
SCHEMBL13452451 0.78 EPHX1 (0.57) LTA4HALPIPKMPTGS1XIAP
SCHEMBL20717804 0.78 EPHX1 (0.57) LTA4HALPIPKMPTGS1XIAP
SCHEMBL8987514 0.78 HDAC3 (0.61) DPP7HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL20704531 0.77 EPHX1 (0.55) LTA4HALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9132070 0.77 HDAC3 (0.59) DPP7HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL20704533 0.77 EPHX1 (0.55) LTA4HALPIPKMPTGS1XIAP
SCHEMBL5791401 0.75 MC4R (0.49) DPP7KDM4ELTA4HALPIPKM

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-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 — — US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 — — US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 — — 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 DPP7 925/4885HDAC3 709/4885HDAC1 1290/4885

“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.

Send feedback