SCHEMBL5053652

SCHEMBL5053652

CNC(=O)C(c1ccccc1)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.68
HDAC1 Q13547 10/20 0.58
HDAC3 O15379 6/20 0.58
HDAC8 Q9BY41 6/20 0.58
HDAC4 P56524 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 1/20 0.50
TNF P01375 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL12681975 0.85 HDAC1 (0.72) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL10343708 0.85 HDAC1 (0.72) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL13160795 0.83 FFAR2 (0.67) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL1578231 0.82 CTSD (0.60) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL17084185 0.82 FFAR2 (0.71) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL676825 0.81 HDAC1 (0.80) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL25460815 0.81 FFAR2 (1.00) FFAR2LMNAKMT2A
SCHEMBL10949851 0.81 FFAR2 (1.00) FFAR2LMNAKMT2A
SCHEMBL13448625 0.81 FFAR2 (0.69) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL4599651 0.80 FFAR2 (0.50) FFAR2HDAC1HDAC3HDAC8HDAC4

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-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
WO-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 WO disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 FFAR2 1437/4885HDAC1 275/4885HDAC3 546/4885

“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.