Sugi Predict

Sugi Predict / Compounds / SCHEMBL4377323

SCHEMBL4377323

SCHEMBL4377323

NNC(=O)C(Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 1/20 0.43
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 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
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KCNN4 O15554 3/20 0.37

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
SCHEMBL4377312 0.92 CYP1A2 (0.48) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL1244297 0.81 CYP1A2 (0.65) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL9710789 0.78 HDAC3 (0.50) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL28013708 0.78 CYP1A2 (0.47) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL9518780 0.78 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL5635835 0.75 KCNN4 (0.52) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL27485211 0.74 CYP1A2 (0.56) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL10813682 0.74 HDAC1 (0.44) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL10568366 0.74 HTT (0.51) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL21378779 0.72 MAPT (0.61) CYP1A2CYP2D6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 — — US disclosed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 — — EP disclosed
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-17 — — US disclosed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 — — WO 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-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR CFTR, SLC47A1, SLC47A2 CYP1A2 4842/4885CYP2D6 4819/4885HDAC3 3357/4885

“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.