SCHEMBL4415340

SCHEMBL4415340

Cc1ccc(/C=C/C(=O)O)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.67
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NFE2L2 Q16236 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
TDO2 P48775 1/20 0.43
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4415344 1.00 MIF (0.67) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14926713 0.86 NFE2L2 (0.49) MIFNFE2L2CYP1A1CYP1B1KLKB1
SCHEMBL5199344 0.86 MIF (0.53) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5199333 0.86 MIF (0.53) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25733407 0.84 NFE2L2 (0.47) MIFNFE2L2HDAC3HDAC4HDAC1
SCHEMBL26316886 0.84 NFE2L2 (0.47) MIFNFE2L2CYP1A1CYP1B1KLKB1
SCHEMBL584565 0.81 CYP1A1 (0.55) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30278658 0.81 CYP1A1 (0.55) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL584566 0.81 CYP1A1 (0.55) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29407005 0.81 MIF (0.71) MIFCYP2C19NFE2L2TDO2CYP1A1

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
US-11872202-B2 Pleuromutilin cinnamic acid ester compounds with activities against antibiotic-resistant infections SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-01-16 US disclosed
US-20230172889-A1 PLEUROMUTILIN CINNAMIC ACID ESTER COMPOUNDS WITH ACTIVITIES AGAINST ANTIBIOTIC-RESISTANT INFECTIONS SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-06-08 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
WO-2011032050-A2 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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 (3 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-20230172889-A1 PLEUROMUTILIN CINNAMIC ACID ESTER COMPOUNDS WITH ACTIVITIES AGAINST ANTIBIOTIC-RESISTANT INFECTIONS RELA, PLEC, ABL1 MIF 5/4885CYP3A4 1216/4885CYP2D6 1242/4885
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 MIF 4730/4885CYP3A4 2072/4885CYP2D6 1922/4885
US-11872202-B2 Pleuromutilin cinnamic acid ester compounds with activities against antibiotic-resistant infections RELA, PLEC, ABL1 MIF 5/4885CYP3A4 1216/4885CYP2D6 1242/4885

“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.