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SCHEMBL4461350

SCHEMBL4461350

CC(C)(C)NC(=O)NCCN(CCNC(=O)CCl)CCNC(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4C Q9H3R0 1/20 0.36
▸ CACNA1H O95180 6/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FGFR1 P11362 1/20 0.31

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
SCHEMBL6370657 0.89 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7402671 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP2D6KCNH2EPHX2
SCHEMBL7046018 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP2D6KCNH2EPHX2
SCHEMBL21017579 0.76 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2958802 0.75 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19171338 0.74 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3892430 0.74 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KDM4CEPHX2KMT2A
SCHEMBL11028511 0.74 CYP1A2 (0.49) SMN1; SMN2ALDH1A1CYP2D6KCNH2KMT2A
SCHEMBL6517205 0.73 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6517209 0.73 NPC1 (0.33) NPC1RAB9AMAPTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373285-A4 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INT (US) 2009-09-09 — — EP disclosed
WO-2006055644-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 — — WO disclosed
WO-2006055437-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 — — WO disclosed
US-20050272670-A1 Synthesis and use of glycodendrimer reagents DAVIS BENJAMIN G 2005-12-08 — — US disclosed
EP-1373285-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2004-01-02 — — EP disclosed
US-6627744-B2 A chemically modified mutant protein, e.g. an enzyme, having a substituted cysteine reacted with a glyosyslated thiosulfate; high esterase activity and low amidase activity of subtilisins; protease to degrade lectins GENENCOR INTERNATIONAL, INC. 2003-09-30 — — US disclosed
WO-2002079394-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2002-10-10 — — WO disclosed
US-20020019039-A1 Synthesis and use of glycodendrimer reagents GENENCOR INTERNATIONAL, INC. 2002-02-14 — — 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-20020019039-A1 Synthesis and use of glycodendrimer reagents STT3A, STT3B, PTMS NPC1 1141/4885RAB9A 3037/4885MAPT 3219/4885
US-20050272670-A1 Synthesis and use of glycodendrimer reagents STT3A, PTMS, STT3B NPC1 1037/4885RAB9A 3035/4885MAPT 3038/4885

“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.