SCHEMBL13618531

SCHEMBL13618531

CC1CCC(C(=O)NCCCCCC(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.51
NAAA Q02083 1/20 0.51
PRMT1 Q99873 1/20 0.50
GNAI3 P08754 2/20 0.48
GNAO1 P09471 2/20 0.48
GNAI1 P63096 2/20 0.48
EPHX1 P07099 1/20 0.48
PLA2G2A P14555 1/20 0.44
EPHX2 P34913 7/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7739813 0.93 NAAA (0.46) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL7739816 0.93 NAAA (0.46) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL9830399 0.92 PRMT1 (0.59) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL24982662 0.87 NAAA (0.51) NAAAGNAI3GNAO1GNAI1
SCHEMBL9831902 0.85 NAAA (0.60) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL9830181 0.85 NAAA (0.65) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL2331473 0.84 EPHX2 (0.51) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL5655426 0.83 NAAA (0.68) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL7897834 0.83 NAAA (0.68) ADRA1ANAAAPRMT1GNAI3GNAO1
SCHEMBL9831292 0.83 NAAA (0.62) ADRA1ANAAAPRMT1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
US-9370492-B2 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. (US) 2016-06-21 US disclosed
US-9370492-B2 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. (US) 2016-06-21 US disclosed
US-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS EMISPHERE TECHNOLOGIES, INC. (US) 2009-11-12 US disclosed
US-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS EMISPHERE TECHNOLOGIES, INC. (US) 2009-11-12 US disclosed
US-7417022-B2 Compounds and compositions for delivering active agents MHR INSTITUTIONAL PARTNERS IIA LP (US) 2008-08-26 US disclosed
US-7417022-B2 Compounds and compositions for delivering active agents MHR INSTITUTIONAL PARTNERS IIA LP (US) 2008-08-26 US disclosed
WO-2007093226-A1 ORAL IBANDRONATE FORMULATIONS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
EP-1792624-A1 Modified amino acids and compositions comprising them for delivering active agents Emisphere Technologies, Inc. (US) 2007-06-06 EP disclosed
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. 2007-03-01 US disclosed
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. 2007-03-01 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 (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-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS SLC1A5, SLC7A5, SLC7A1 ADRA1A 2222/4885NAAA 3916/4885PRMT1 3456/4885
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers SLC1A5, SLC7A5, SLC7A1 ADRA1A 2203/4885NAAA 3924/4885PRMT1 3459/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 ADRA1A 4101/4885NAAA 3559/4885PRMT1 4861/4885

“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.