SCHEMBL19208974

SCHEMBL19208974

CC1(C)OB(C2=CCC(COC(=O)c3ccccc3)(C(=O)OCc3ccccc3)CC2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
P4HB P07237 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
SCHEMBL19208831 0.90 MEN1 (0.36) KMT2ALMNAALDH1A1RAB9AGAA
SCHEMBL19208866 0.90 MEN1 (0.36) KMT2ALMNAALDH1A1RAB9AGAA
SCHEMBL15166729 0.90 MEN1 (0.36) KMT2ALMNAALDH1A1RAB9AGAA
SCHEMBL22898168 0.88 P4HB (0.37) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL17174548 0.87 DDB1 (0.39) KMT2AALDH1A1DDB1CRBNNR1H2
SCHEMBL17174551 0.87 DDB1 (0.39) KMT2AALDH1A1DDB1CRBNNR1H2
SCHEMBL17174550 0.87 DDB1 (0.39) KMT2AALDH1A1DDB1CRBNNR1H2
SCHEMBL17174481 0.86 DDB1 (0.38) ALDH1A1DDB1CRBNNR1H2NR1H3
SCHEMBL17162572 0.86 DDB1 (0.38) ALDH1A1DDB1CRBNNR1H2NR1H3
SCHEMBL17174477 0.86 DDB1 (0.38) ALDH1A1DDB1CRBNNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-21 US disclosed
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-21 US disclosed
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-21 US disclosed
EP-3831839-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-07-26 EP disclosed
EP-3831839-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-07-26 EP disclosed
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 US disclosed
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 US disclosed
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2021-08-10 US disclosed
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2021-08-10 US disclosed
EP-3831839-A2 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS ViiV Healthcare UK (No.5) Limited (GB) 2021-06-09 EP disclosed
EP-3831839-A2 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS ViiV Healthcare UK (No.5) Limited (GB) 2021-06-09 EP disclosed
EP-3411381-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2021-01-20 EP disclosed
EP-3411381-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2021-01-20 EP disclosed
US-10421774-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2019-09-24 US disclosed
US-10421774-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2019-09-24 US disclosed
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 US disclosed
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 US disclosed
EP-3411381-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2018-12-12 EP disclosed
WO-2017134596-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2017-08-10 WO disclosed
WO-2017134596-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2017-08-10 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 (5 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-10421774-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885

“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.