SCHEMBL12465645

SCHEMBL12465645

CC(C)(C)[Si](C)(C)OCCCN(CCN1CCS(=O)(=O)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 2/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL12465586 0.95 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12465647 0.93 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12465588 0.89 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12698043 0.87 KMT2A (0.39) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12465572 0.85 KMT2A (0.43) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12698024 0.84 VCAM1 (0.44) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL14672958 0.80 KMT2A (0.39) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12465575 0.78 KMT2A (0.44) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL14672842 0.77 VCAM1 (0.43) SMN1; SMN2KMT2ATDP1MEN1PKM
SCHEMBL12311334 0.74 KMT2A (0.54) SMN1; SMN2KMT2ATDP1MEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-11-20 US disclosed
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-11-20 US disclosed
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-11-20 US disclosed
US-8846637-B2 Substituted 2′-amino and 2′-thio-bicyclic nucleosides and oligomeric compounds prepared therefrom ISIS PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846647-B2 C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846647-B2 C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846647-B2 C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2670765-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY Bristol-Myers Squibb Company (US) 2013-12-11 EP disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
WO-2012106190-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 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 (3 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-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CDK17 SMN1; SMN2 4516/4885KMT2A 4424/4885TDP1 4347/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 SMN1; SMN2 4441/4885KMT2A 4371/4885TDP1 4254/4885
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 SMN1; SMN2 4441/4885KMT2A 4371/4885TDP1 4254/4885

“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.