SCHEMBL4433607

SCHEMBL4433607

CC(C)(C)[PH](=O)c1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
FLT3 P36888 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
BCAT2 O15382 1/20 0.34
POLB P06746 1/20 0.33
MGLL Q99685 1/20 0.32
PDCD1 Q15116 1/20 0.32

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
SCHEMBL23687090 0.77 PTGS2 (0.41) PTGS2FLT3ALDH1A1HSD17B10HPGD
SCHEMBL14245011 0.76 ALDH1A1 (0.42) PTGS2FLT3ALDH1A1HSD17B10HPGD
SCHEMBL15536366 0.72 CYP2A6 (0.44) PTGS2FLT3ALDH1A1HSD17B10HPGD
SCHEMBL12394342 0.72 TSHR (0.39) ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL562949 0.72 ALDH1A1 (0.44) PTGS2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL12667246 0.71 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDHDAC4HDAC2
SCHEMBL27929414 0.71 ALDH1A1 (0.38) PTGS2FLT3ALDH1A1HSD17B10HPGD
SCHEMBL1683358 0.69 MAPK1 (0.33) ALDH1A1HSD17B10MAPK1HDAC4HDAC2
SCHEMBL14392784 0.68 CYP3A4 (0.38) TDP1
Phosphonic Acid SCHEMBL11578470 0.66 ALDH1A1 (0.52) PTGS2ALDH1A1HSD17B10HPGDBCL2L1

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
CN-101679454-A Antimicrobial heterocyclic compounds for treatment of bacterial infections MICURX PHARMACEUTICALS INC 2010-03-24 CN disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 PTGS2 785/4885FLT3 1032/4885ALDH1A1 953/4885

“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.