SCHEMBL17501968

SCHEMBL17501968

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FOLH1 Q04609 7/20 0.41
SYK P43405 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL17501963 0.81 MEN1 (0.49) HTTMAPTMEN1KMT2ASYK
SCHEMBL17521942 0.78 MEN1 (0.46) HTTMAPTMEN1KMT2ASYK
SCHEMBL6049741 0.77 HTT (0.59) HTTMAPTMEN1KMT2ASYK
SCHEMBL17495253 0.76 HTT (0.56) HTTMAPTMEN1KMT2ASYK
SCHEMBL23497295 0.76 MEN1 (0.47) MEN1KMT2A
SCHEMBL28513293 0.75 HTT (0.54) HTTMAPTMEN1KMT2ASYK
Glycolic Acid SCHEMBL145941 0.75 HTT (0.58) HTTMAPTMEN1KMT2AFOLH1
SCHEMBL22829840 0.75 HTT (0.47) HTTMAPTSYKL3MBTL1LMNA
SCHEMBL22829843 0.74 HTT (0.47) HTTMAPTMEN1KMT2ASYK
SCHEMBL15486172 0.74 NAALAD2 (0.32)

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 3 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

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 3197/4885MAPT 2433/4885MEN1 3709/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 HTT 1879/4885MAPT 4192/4885MEN1 110/4885

“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.