SCHEMBL16247231

SCHEMBL16247231

CCCC(=O)OCN(C(=O)[C@@H](N=[N+]=[N-])[C@@H](C)CC)[C@H](C[C@@H](O)c1nc(C(=O)OC)cs1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL23416462 1.00 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL19455910 1.00 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL19660999 1.00 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL17190077 0.93 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL14983997 0.93 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL17083027 0.93 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL13618634 0.93 ABCB1 (0.32) ABCB1
SCHEMBL15604384 0.93 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL14983992 0.93 ABCB1 (0.32) ABCB1CYP1A2CYP2C19
SCHEMBL15080494 0.93 ABCB1 (0.32) ABCB1

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-20170360950-A1 DRUG DELIVERY CONJUGATES CONTAINING UNNATURAL AMINO ACIDS AND METHODS FOR USING ENDOCYTE INC (US) 2017-12-21 US disclosed
US-9505747-B2 Processes for preparing tubulysin derivatives and conjugates thereof ENDOCYTE, INC. (US) 2016-11-29 US disclosed
US-9499849-B2 Processes for preparing tubulysins ENDOCYTE, INC. (US) 2016-11-22 US disclosed
US-20160177363-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE INC (US) 2016-06-23 US disclosed
US-9273091-B2 Processes for preparing tubulysins ENDOCYTE, INC. (US) 2016-03-01 US disclosed
US-20150225447-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. (US) 2015-08-13 US disclosed
US-20150051399-A1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF ENDOCYTE, INC. 2015-02-19 US disclosed
US-8889880-B2 Processes for preparing tubulysins ENDOCYTE, INC. (US) 2014-11-18 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 (4 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-20170360950-A1 DRUG DELIVERY CONJUGATES CONTAINING UNNATURAL AMINO ACIDS AND METHODS FOR USING SLC7A1, SLC1A5, DNPEP ABCB1 192/4885CYP1A2 4811/4885CYP2C19 4622/4885
US-20150225447-A1 PROCESSES FOR PREPARING TUBULYSINS NGLY1, LGMN, TEKT1 ABCB1 2967/4885CYP1A2 4735/4885CYP2C19 4623/4885
US-20150051399-A1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF TEK, C3AR1, TEKT1 ABCB1 2869/4885CYP1A2 4129/4885CYP2C19 4057/4885
US-20160177363-A1 PROCESSES FOR PREPARING TUBULYSINS NGLY1, LGMN, TEKT1 ABCB1 2967/4885CYP1A2 4735/4885CYP2C19 4623/4885

“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.