SCHEMBL6377301

SCHEMBL6377301

O=C(O)[C@@](O)(C(=O)Cc1ccc(O)c(O)c1)[C@@](O)(C(=O)O)C(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
HSD17B10 Q99714 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 3/20 0.61
HPGD P15428 3/20 0.61
GAA P10253 3/20 0.61
APEX1 P27695 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
LMNA P02545 2/20 0.61
THPO P40225 2/20 0.61
HIF1A Q16665 2/20 0.61
RGS12 O14924 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
GNAI1 P63096 1/20 0.61
ALOX15 P16050 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50

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
SCHEMBL6377145 1.00 KDM4E (0.61) KDM4EHSD17B10TDP1MAPTPOLB
3,4-Dihydroxyphenylacetic Acid SCHEMBL29382155 0.77 GAA (1.00) KDM4EHSD17B10TDP1MAPTPOLB
3,4-Dihydroxyphenylacetic Acid SCHEMBL36348 0.77 GAA (1.00) KDM4EHSD17B10TDP1MAPTPOLB
SCHEMBL6377861 0.76 HSD17B10 (0.55) KDM4EHSD17B10TDP1MAPTPOLB
SCHEMBL6374835 0.76 HSD17B10 (0.55) KDM4EHSD17B10TDP1MAPTPOLB
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214151 0.75 GAA (0.96) KDM4EHSD17B10TDP1MAPTPOLB
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214147 0.75 GAA (0.96) KDM4EHSD17B10TDP1MAPTPOLB
SCHEMBL4957230 0.75 CES1 (0.61) MAPTHPGDGAALMNAHIF1A
SCHEMBL22982989 0.74 KDM4E (0.72) KDM4EHSD17B10TDP1MAPTPOLB
SCHEMBL31618868 0.74 KDM4E (0.72) KDM4EHSD17B10TDP1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049242-A1 Novel HIV integrase inhibitors and HIV therapy based on drug combinations including integrase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-03 US disclosed
US-20050049242-A1 Novel HIV integrase inhibitors and HIV therapy based on drug combinations including integrase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-03 US disclosed
EP-1063888-A1 NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS The Regents of the University of California (US) 2001-01-03 EP disclosed
EP-1063888-A1 NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS The Regents of the University of California (US) 2001-01-03 EP disclosed
WO-1999048371-A1 NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-30 WO disclosed
WO-1999048371-A1 NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-30 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-20050049242-A1 Novel HIV integrase inhibitors and HIV therapy based on drug combinations including integrase inhibitors DDO, DNTT, DSTYK KDM4E 255/4885HSD17B10 539/4885TDP1 241/4885

“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.