SCHEMBL16337389

SCHEMBL16337389

COC(=O)C1(CN(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CA14 Q9ULX7 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
DGAT1 O75907 1/20 0.32
ASGR1 P07306 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL14809114 0.90 CTSD (0.36) CYP4F2CYP4A11CA14FPR3FPR2
SCHEMBL4144318 0.84 NFKB1 (0.37) CYP4F2CYP4A11HDAC1HDAC2HDAC6
SCHEMBL4137259 0.83 PDK2 (0.32) CYP4F2CYP4A11FPR3FPR2ASGR1
SCHEMBL15116573 0.83 CYP4F2 (0.33) CYP4F2CYP4A11FPR3FPR2ASGR1
SCHEMBL22113052 0.82 ASGR1 (0.32) CYP4F2CYP4A11FPR3FPR2ASGR1
SCHEMBL15125117 0.81 ASGR1 (0.31) CA14FPR3FPR2ASGR1HDAC1
SCHEMBL15113643 0.79 CTSL (0.31) FPR3FPR2ASGR1
SCHEMBL6628984 0.79 CYP4F2 (0.47) CYP4F2CYP4A11CA14FPR3FPR2
SCHEMBL31703654 0.76 HDAC6 (0.33) CA14FPR3FPR2ASGR1HDAC1
SCHEMBL20993458 0.75 FPR3 (0.33) CA14FPR3FPR2ASGR1HDAC1

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
WO-2020120576-A1 p38α AUTOPHOSPHORYLATION INHIBITORS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2020-06-18 WO disclosed
US-9434753-B2 Modified creatine compounds GENCIA CORPORATION (US) 2016-09-06 US disclosed
US-20150005258-A1 Modified Creatine Compounds Genci Corporation (US) 2015-01-01 US disclosed
CN-103889993-A Modified creatine compounds GENCIA CORP 2014-06-25 CN 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-20150005258-A1 Modified Creatine Compounds CKMT1A; CKMT1B, SLC25A20, ARG2 CYP4F2 2281/4885CYP4A11 3225/4885CA14 2470/4885

“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.