SCHEMBL20536552

SCHEMBL20536552

O=P(O)(O)Cc1csc(CCO)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
HDAC1 Q13547 11/20 0.35
HDAC6 Q9UBN7 11/20 0.35

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
SCHEMBL20536453 0.86 PGK1 (0.46) PGK1PGK2HDAC1HDAC6
SCHEMBL4848422 0.81 PGK1 (0.44) PGK1PGK2
SCHEMBL20536064 0.80 PGK1 (0.38) PGK1PGK2HDAC1HDAC6
SCHEMBL18758400 0.79 PPARD (0.39) HDAC1HDAC6
SCHEMBL8121663 0.77 PGK1 (0.41) PGK1PGK2HDAC1HDAC6
SCHEMBL20535736 0.75 PGK1 (0.34) PGK1PGK2HDAC1HDAC6
SCHEMBL20536570 0.74 PGK1 (0.39) PGK1PGK2
SCHEMBL25426497 0.73 PGK1 (0.47) PGK1PGK2
SCHEMBL3556536 0.73 PGK1 (0.47) PGK1PGK2
SCHEMBL20536551 0.72 HDAC1 (0.31) PGK1PGK2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
EP-3609538-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES William Marsh Rice University (US) 2020-02-19 EP disclosed
WO-2018191394-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2018-10-18 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 (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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 PGK1 4481/4885PGK2 3836/4885HDAC1 3130/4885

“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.