SCHEMBL16987201

SCHEMBL16987201

CCCCCCCC(=O)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL25236455 1.00 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL4986153 1.00 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL28785208 1.00 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL1555533 1.00 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL16987399 1.00 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL11327410 0.98 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL11327481 0.90 CES1 (0.50) CES2CES1ALDH1A1LPAR2LPAR3
SCHEMBL10445613 0.88 FABP3 (0.65) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL27670934 0.88 FABP3 (0.65) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL304736 0.88 FABP3 (0.65) PPARGPPARDPPARAPTPN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9930893-B2 Inhibitors of DXP synthase and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2018-04-03 US disclosed
US-20150225430-A1 INHIBITORS OF DXP SYNTHASE AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 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-20150225430-A1 INHIBITORS OF DXP SYNTHASE AND METHODS OF USE THEREOF DHPS, FDPS, DPYD CES2 314/4885CES1 146/4885GPR84 4146/4885

“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.