SCHEMBL12465710

SCHEMBL12465710

CS(=O)(=O)C1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2C P28335 1/20 0.35
LTA4H P09960 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR6 P50406 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL14734035 0.82 DRD2 (0.45) KMT2ASMN1; SMN2
SCHEMBL18502936 0.80 ALOX15 (0.46) HTR2AKCNH2HTR2CLTA4HSMN1; SMN2
SCHEMBL12465593 0.80 LTA4H (0.37) ALDH1A1KMT2AHTR2AKCNH2HTR2C
Hydrochloric Acid SCHEMBL17162592 0.78 LTA4H (0.36) ALDH1A1KMT2AHTR2AKCNH2HTR2C
Hydrochloric Acid SCHEMBL18668753 0.78 ALOX15 (0.44) HTR2AKCNH2HTR2CLTA4HSMN1; SMN2
SCHEMBL4375813 0.78 HTR2A (0.33) HTR2AKCNH2
SCHEMBL12788684 0.77 CACNA1I (0.38) HTR2AKCNH2HTR2CLTA4HCHRM2
SCHEMBL441486 0.77 GPR119 (0.38) HTR2AKCNH2HTR2CLTA4H
SCHEMBL22922810 0.77 KEAP1 (0.42) HTR2AKCNH2HTR2CLTA4HSMN1; SMN2
SCHEMBL17207681 0.77 CARM1 (0.58)

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 18 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
CN-103429607-B There is the triterpenoid that C-17 and C-3 of HIV maturation inhibit activities is modified BRISTOL-MYERS SQUIBB CO. (US) 2016-02-17 CN 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-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
CN-103429607-A C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL MYERS SQUIBB CO 2013-12-04 CN 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
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 SLC18A3 2514/4885ALDH1A1 1833/4885KDM4E 2662/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 SLC18A3 2741/4885ALDH1A1 2193/4885KDM4E 2451/4885
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 SLC18A3 2741/4885ALDH1A1 2193/4885KDM4E 2451/4885

“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.