SCHEMBL18758403

SCHEMBL18758403

CSc1cc(CO)nn1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL12374287 0.82 HPGD (0.37)
SCHEMBL18758466 0.80 BCHE (0.32) BCHE
SCHEMBL18758470 0.73
SCHEMBL243540 0.72
SCHEMBL27942728 0.72 BCHE (0.38) BCHEPOLBMAPT
SCHEMBL24915146 0.71
SCHEMBL17596006 0.71
SCHEMBL21792131 0.71
SCHEMBL7981598 0.71
SCHEMBL1292950 0.71

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 5 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
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
US-10874646-B2 Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-12-29 US disclosed
US-20190022069-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2019-01-24 US disclosed
WO-2017066606-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2017-04-20 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-10874646-B2 Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof EPOR, CD47, DHPS BCHE 2143/4885POLB 3065/4885MAPT 3333/4885
US-20190022069-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF EPOR, CD47, DHPS BCHE 2143/4885POLB 3065/4885MAPT 3333/4885
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 BCHE 1561/4885POLB 4254/4885MAPT 4222/4885

“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.