SCHEMBL22360579

SCHEMBL22360579

COC(=O)[C@H](C)N1CCN(S(=O)(=O)C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
CA14 Q9ULX7 2/20 0.36
NAMPT P43490 1/20 0.35
CA12 O43570 1/20 0.34
RECQL P46063 2/20 0.34
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
EIF4H Q15056 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
KCNT1 Q5JUK3 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL25437851 1.00 EPHX2 (0.40) EPHX2CA14NAMPTCA12RECQL
SCHEMBL27870532 0.84 TP53 (0.46) CA14ALDH1A1GAALMNATP53
SCHEMBL30406525 0.84 TP53 (0.46) CA14ALDH1A1GAALMNATP53
SCHEMBL11598889 0.83 RECQL (0.42) CA14CA12RECQLALDH1A1LMNA
SCHEMBL10088096 0.83 RECQL (0.42) CA14CA12RECQLALDH1A1LMNA
SCHEMBL25280914 0.83 L3MBTL1 (0.47) CA14CA12CYP3A4ALDH1A1GAA
SCHEMBL22345731 0.80 EPHX2 (0.40) EPHX2NAMPTPABPC1APOBEC3AEIF4H
SCHEMBL22345732 0.80 EPHX2 (0.40) EPHX2NAMPTPABPC1APOBEC3AEIF4H
SCHEMBL31027453 0.80 EPHX2 (0.38) EPHX2CA14CA12RECQLPABPC1
SCHEMBL25423600 0.79 KMT2A (0.43) PABPC1APOBEC3AEIF4HAPOBEC3GALDH1A1

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
US-20250214954-A1 METHODS OF TREATING HIV USING TRITERPENE DERIVATIVES HETERO LABS LIMITED (IN) 2025-07-03 US disclosed
US-12275712-B2 Triterpene derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2025-04-15 US disclosed
EP-4248960-A2 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2023-09-27 EP disclosed
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP disclosed
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP disclosed
US-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2022-06-09 US disclosed
US-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2022-06-09 US disclosed
WO-2020165741-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2020-08-20 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-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS CYP51A1, CCR5, HSD17B7 EPHX2 2216/4885CA14 4630/4885NAMPT 1937/4885
US-12275712-B2 Triterpene derivatives as HIV inhibitors CCR5, CYP51A1, CYP4A11 EPHX2 1888/4885CA14 4611/4885NAMPT 1584/4885
US-20250214954-A1 METHODS OF TREATING HIV USING TRITERPENE DERIVATIVES CCR5, HSD17B7, CYP51A1 EPHX2 1776/4885CA14 3906/4885NAMPT 1785/4885

“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.