SCHEMBL19209048

SCHEMBL19209048

CCOC(=O)C1(COS(C)(=O)=O)CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 7/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL162359 0.88 ALDH1A1 (0.39) POLBALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL6950111 0.84 TSHR (0.39) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL17682272 0.82 ALDH1A1 (0.39) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL4462480 0.82 POLB (0.39) POLBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL12140577 0.81 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL716817 0.81 ALDH1A1 (0.36) POLBALDH1A1CYP3A4CYP2C9MAPK1
SCHEMBL6777001 0.81 TSHR (0.36) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL14212551 0.81 ALDH1A1 (0.41) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL11920271 0.79 ALDH1A1 (0.40) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL7250741 0.79 POLB (0.39) POLBALDH1A1CYP3A4CYP2C19CYP2C9

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 POLB 1416/4885ALDH1A1 2551/4885CYP3A4 260/4885
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors IL17A, BET1, CD4 POLB 1416/4885ALDH1A1 2551/4885CYP3A4 260/4885
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 POLB 1416/4885ALDH1A1 2551/4885CYP3A4 260/4885
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 POLB 1416/4885ALDH1A1 2551/4885CYP3A4 260/4885
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 POLB 1416/4885ALDH1A1 2551/4885CYP3A4 260/4885

“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.