SCHEMBL16094095

SCHEMBL16094095

O=C(O)CCC(CCC(=O)O)(CCC(=O)O)NC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.48
FOLH1 Q04609 4/20 0.48
CPB1 P15086 1/20 0.47
GAA P10253 1/20 0.47
TGM2 P21980 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
MAPT P10636 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
PRSS1 P07477 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL17521941 0.90 HTT (0.52) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL19477840 0.88 HTT (0.57) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL17501963 0.86 MEN1 (0.49) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5050709 0.85 HTT (0.57) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL328476 0.85 HTT (0.57) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7514786 0.84 HTT (0.73) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL127662 0.83 HTT (0.82) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL17521942 0.82 MEN1 (0.46) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22844723 0.82 HTT (0.53) HTTLMNASMN1; SMN2FOLH1TGM2
Hydrochloric Acid SCHEMBL7400993 0.82 HTT (0.79) HTTMEN1KMT2ALMNASMN1; SMN2

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-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
US-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20160038615-A1 SACCHARIDE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 US disclosed
WO-2014152718-A1 SACCHARIDE CONJUGATES ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-09-25 WO disclosed
WO-2014152718-A1 SACCHARIDE CONJUGATES ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-09-25 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 (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-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES FUT5, FUT6, B3GNT2 HTT 3197/4885MEN1 3709/4885KMT2A 1202/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 HTT 1879/4885MEN1 110/4885KMT2A 1868/4885

“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.