SCHEMBL6036690

SCHEMBL6036690

CNCc1ccc(OC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
PPARG P37231 6/20 0.40
POLB P06746 1/20 0.38
PPARD Q03181 2/20 0.38
CTSK P43235 3/20 0.37
CACNA1B Q00975 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ABCB1 P08183 1/20 0.36
CTSS P25774 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6036686 1.00 PPARA (0.40) PPARAPPARGPOLBPPARDCTSK
SCHEMBL6036281 0.83 KMT2A (0.43) PPARAPPARGPPARDKDM4EMAPT
SCHEMBL6036278 0.83 KMT2A (0.43) PPARAPPARGPPARDKDM4EMAPT
SCHEMBL7903853 0.81 PPARG (0.48) PPARAPPARGGAAMAPTNPC1
SCHEMBL29170202 0.81 PPARG (0.48) PPARAPPARGGAAMAPTNPC1
SCHEMBL7902134 0.80 PPARG (0.34) PPARAPPARGPPARDCTSKCACNA1B
SCHEMBL7894784 0.79 PPARG (0.34) PPARAPPARGPPARDCTSKCACNA1B
SCHEMBL7903878 0.79 PPARG (0.34) PPARAPPARGPPARDCTSKCACNA1B
SCHEMBL13570965 0.76 CYP1A2 (0.50) PPARAPPARGPOLBCTSKCTSS
SCHEMBL13570964 0.76 CYP1A2 (0.50) PPARAPPARGPOLBCTSKCTSS

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
EP-1644025-A4 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS VION PHARMACEUTICALS INC (US) 2006-11-15 EP disclosed
EP-1644025-A1 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS Vion Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050043244-A1 Water-soluble SHPs as novel alkylating agents VION PHARMACEUTICALS, INC. (US) 2005-02-24 US disclosed
US-6855695-B2 Water-soluble SHPs as novel alkylating agents VION PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
WO-2005004897-A1 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS VION PHARMACEUTICALS, INC. (US) 2005-01-20 WO disclosed
US-20040254103-A1 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS NANOSHIFT, LLC 2004-12-16 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-20040254103-A1 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS SHPRH, OGFR, COG3 PPARA 4021/4885PPARG 3545/4885POLB 2281/4885
US-20050043244-A1 Water-soluble SHPs as novel alkylating agents GRM3, GRIA3, SHPRH PPARA 3768/4885PPARG 2900/4885POLB 2246/4885

“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.