SCHEMBL20215656

SCHEMBL20215656

CC(C)COC(=O)[C@@H](N)C(C)CC(C)COC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LTA4H P09960 1/20 0.43
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
KDM4E B2RXH2 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC15A1 P46059 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL217032 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18067489 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5281365 0.85 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL217031 0.85 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18870210 0.83 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20747605 0.80 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21202560 0.80 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1712570 0.78 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL27782840 0.78 SRR (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20215677 0.78 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364252-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2019-07-30 US disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 US 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 (1 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-10364252-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 ALPI 279/4885PKM 2225/4885PTGS1 1549/4885

“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.