SCHEMBL13435233

SCHEMBL13435233

CC(=O)Sc1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
AKR1B1 P15121 1/20 0.50
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
CYP26A1 O43174 1/20 0.45
FFAR1 O14842 1/20 0.44
POLB P06746 2/20 0.43
CASP6 P55212 2/20 0.43
NSD2 O96028 1/20 0.43
GRK2 P25098 1/20 0.43

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
SCHEMBL14367128 0.81 KMT2A (0.52) CA2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL14341653 0.80 HPGD (0.46) CA2ALDH1A1HPGDLMNAGAA
SCHEMBL6541372 0.79 CA2 (0.47) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL46640 0.79 CA2 (0.56) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL21328439 0.79 ACHE (0.50) CA2ALDH1A1HPGDLMNAKDM4E
SCHEMBL14490064 0.79 NOS3 (0.39) CA2ALDH1A1HPGDLMNATSHR
SCHEMBL13464286 0.79 CA2 (0.60) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL225546 0.79 CA2 (0.60) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL10187470 0.78 LMNA (0.58) CA2ALDH1A1HPGDLMNA
SCHEMBL10587186 0.78 CES2 (0.42) CA2ALDH1A1HPGDLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
EP-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO disclosed
US-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2010-03-18 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 (2 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-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS MSR1, C9, ADM2 CA2 1755/4885CAMK2A 4792/4885AKR1B1 1038/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC CA2 4318/4885CAMK2A 4163/4885AKR1B1 3586/4885

“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.