SCHEMBL43321

SCHEMBL43321

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 17/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ CYP2C19 P33261 1/20 0.34

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
Taxuspine J SCHEMBL32665717 0.75 NLRP3 (0.41) ABCB1NLRP3CYP2C19
SCHEMBL44567 0.74 NLRP3 (0.43) ABCB1NLRP3CYP2C19
SCHEMBL31384147 0.74 NLRP3 (0.43) ABCB1NLRP3CYP2C19
SCHEMBL44737 0.73 NLRP3 (0.47) ABCB1NLRP3CYP2C19
Taxuspine A SCHEMBL31565642 0.71 ABCB1 (0.41) ABCB1NLRP3
SCHEMBL29425006 0.70 NLRP3 (0.38) ABCB1NLRP3CYP2C19
SCHEMBL44183 0.70 ABCB1 (0.41) ABCB1NLRP3
Taxagifine SCHEMBL29520283 0.69 ABCB1 (0.40) ABCB1NLRP3CYP2C19
Taxagifine SCHEMBL28964410 0.69 ABCB1 (0.40) ABCB1NLRP3CYP2C19
SCHEMBL29786939 0.68 — —

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710013-B2 Pharmaceutical compositions of paclitaxel, paclitaxel analogs or paclitaxel conjugates and related methods of preparation and use ANGIOCHEM INC. (CA) 2014-04-29 — — US claimed
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2018-01-18 — — US disclosed
EP-2588490-B1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2017-02-22 — — EP disclosed
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 — — US disclosed
US-9161988-B2 Multimeric peptide conjugates and uses thereof ANGIOCHEM INC. (CA) 2015-10-20 — — US disclosed
US-20150174267-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS ANGIOCHEM INC (CA) 2015-06-25 — — US disclosed
US-8710013-B2 Pharmaceutical compositions of paclitaxel, paclitaxel analogs or paclitaxel conjugates and related methods of preparation and use ANGIOCHEM INC. (CA) 2014-04-29 — — US disclosed
US-20130280281-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2013-10-24 — — US disclosed
EP-2588490-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2013-05-08 — — EP disclosed
US-20120277158-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS ANGIOCHEM INC. (CA) 2012-11-01 — — US disclosed
US-20120141416-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2012-06-07 — — US disclosed
WO-2012037687-A9 THERAPEUTIC POLYPEPTIDES AND USES THEREOF ANGIOCHEM INC. (CA) 2012-05-18 — — WO disclosed
EP-2448965-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2012-05-09 — — EP disclosed
WO-2012037687-A1 THERAPEUTIC POLYPEPTIDES AND USES THEREOF ANGIOCHEM INC. (CA) 2012-03-29 — — WO disclosed
WO-2012000118-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2012-01-05 — — WO disclosed
US-20110112036-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE ANGIOCHEM INC. (CA) 2011-05-12 — — US disclosed
WO-2011041897-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS ANGIOCHEM INC. (CA) 2011-04-14 — — WO disclosed
EP-2279008-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE Angiochem Inc. (CA) 2011-02-02 — — EP disclosed
WO-2011000095-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-01-06 — — WO disclosed
WO-2009127072-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE ANGIOCHEM INC. (CA) 2009-10-22 — — 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 (7 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-20120141416-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF LNPEP, DNPEP, VIP ABCB1 101/4885NLRP3 1887/4885CYP2C19 4507/4885
US-20110112036-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE PGA5, KIF5A, ABCB11 ABCB1 8/4885NLRP3 4740/4885CYP2C19 1007/4885
US-20130280281-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP ABCB1 112/4885NLRP3 3107/4885CYP2C19 3741/4885
US-20120277158-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA ABCB1 92/4885NLRP3 4488/4885CYP2C19 4383/4885
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP ABCB1 112/4885NLRP3 3107/4885CYP2C19 3741/4885
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP ABCB1 112/4885NLRP3 3107/4885CYP2C19 3741/4885
US-20150174267-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA ABCB1 92/4885NLRP3 4488/4885CYP2C19 4383/4885

“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.

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