SCHEMBL44737

SCHEMBL44737

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.47
CYP2C19 P33261 1/20 0.41
ABCB1 P08183 11/20 0.36
MCL1 Q07820 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 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
Taxusin SCHEMBL6017679 0.78 NLRP3 (0.31) NLRP3OPRK1
SCHEMBL1891255 0.78 OPRK1 (0.33) NLRP3OPRK1
SCHEMBL43321 0.73 ABCB1 (0.38) NLRP3CYP2C19ABCB1
SCHEMBL44567 0.72 NLRP3 (0.43) NLRP3CYP2C19ABCB1OPRM1OPRD1
SCHEMBL31384147 0.72 NLRP3 (0.43) NLRP3CYP2C19ABCB1OPRM1OPRD1
Taxuspine J SCHEMBL32665717 0.68 NLRP3 (0.41) NLRP3CYP2C19ABCB1
Taxuspine A SCHEMBL31565642 0.64 ABCB1 (0.41) NLRP3ABCB1
Taxuspine B SCHEMBL31565638 0.62 ABCB1 (0.37) NLRP3CYP2C19ABCB1
SCHEMBL13189220 0.62 NLRP3 (0.38) NLRP3ABCB1
SCHEMBL24565373 0.60 ALDH1A1 (0.34) CYP2C19

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 NLRP3 1887/4885CYP2C19 4507/4885ABCB1 101/4885
US-20110112036-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE PGA5, KIF5A, ABCB11 NLRP3 4740/4885CYP2C19 1007/4885ABCB1 8/4885
US-20130280281-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP NLRP3 3107/4885CYP2C19 3741/4885ABCB1 112/4885
US-20120277158-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA NLRP3 4488/4885CYP2C19 4383/4885ABCB1 92/4885
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP NLRP3 3107/4885CYP2C19 3741/4885ABCB1 112/4885
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP NLRP3 3107/4885CYP2C19 3741/4885ABCB1 112/4885
US-20150174267-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA NLRP3 4488/4885CYP2C19 4383/4885ABCB1 92/4885

“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.