Sugi Predict

Sugi Predict / Compounds / SCHEMBL4398766

SCHEMBL4398766

SCHEMBL4398766

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ USP30 Q70CQ3 2/20 0.47
▸ MCOLN2 Q8IZK6 1/20 0.46
▸ MCOLN1 Q9GZU1 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ SSTR3 P32745 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ MLYCD O95822 1/20 0.45
▸ TAS1R3 Q7RTX0 2/20 0.44

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
SCHEMBL12810185 0.86 HDAC4 (0.56) HDAC4HDAC6KMT2AL3MBTL1KDM1A
SCHEMBL12810188 0.84 HDAC4 (0.59) HDAC4HDAC6KDM1ASSTR3MLYCD
SCHEMBL24512801 0.84 BTK (0.60) KMT2AL3MBTL1KDM1AMAOBUSP30
SCHEMBL774564 0.83 MMP2 (0.59) KMT2AMMP2MMP7MMP9MMP13
SCHEMBL24011514 0.83 KDM1A (0.61) KMT2AL3MBTL1KDM1AMAOBUSP30
SCHEMBL24512916 0.83 KDM1A (0.61) KMT2AL3MBTL1KDM1AMAOBUSP30
SCHEMBL8305518 0.83 F10 (0.72) F10
SCHEMBL3428340 0.82 CCR2 (0.58) HDAC4HDAC6SSTR3MLYCDTAS1R3
SCHEMBL24062392 0.82 BTK (0.57) HDAC4HDAC6KMT2AL3MBTL1KDM1A
SCHEMBL12649367 0.82 BTK (0.57) HDAC4HDAC6KMT2AL3MBTL1KDM1A

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-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 — — US disclosed
US-20120322053-A1 CROSS-COUPLED PEPTIDE NUCLEIC ACIDS FOR DETECTION OF NUCLEIC ACIDS OF PATHOGENS APPELLA DANIEL H (US) 2012-12-20 — — US disclosed
US-20120107794-A1 Cross-Coupled Peptide Nucleic Acids for Detection of Nucleic Acids of Pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-03 — — US disclosed
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 — — 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-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE TERF2, TERF2IP, TCOF1 HDAC4 2962/4885HDAC6 2919/4885KMT2A 3542/4885

“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.