Sugi Predict

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Rotraxate

Rotraxate

SCHEMBL867317

NC[C@H]1CC[C@H](C(=O)c2ccc(CCC(=O)O)cc2)CC1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.66
▸ PLG P00747 2/20 0.45
▸ PLAT P00750 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ FFAR1 O14842 5/20 0.44
▸ HTR2A P28223 2/20 0.43
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.42
▸ SRD5A2 P31213 2/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40

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
Rotraxate SCHEMBL7610725 1.00 F2 (0.66) F2PLGPLATLMNAFFAR1
Rotraxate SCHEMBL1652733 1.00 F2 (0.66) F2PLGPLATLMNAFFAR1
Rotraxate SCHEMBL1133035 0.99 F2 (0.64) F2PLGPLATLMNAFFAR1
Rotraxate SCHEMBL1133033 0.99 F2 (0.64) F2PLGPLATLMNAFFAR1
SCHEMBL11131186 0.92 F2 (0.56) F2PLGPLATLMNAFFAR1
Hydrochloric Acid SCHEMBL11133260 0.91 F2 (0.55) F2PLGPLATLMNAFFAR1
SCHEMBL11133818 0.91 F2 (0.55) F2PLGPLATLMNAHTR2A
Hydrochloric Acid SCHEMBL11133261 0.91 F2 (0.55) F2PLGPLATLMNAFFAR1
SCHEMBL28516375 0.89 F2 (0.54) F2PLGPLATLMNAHTR2A
SCHEMBL28516925 0.89 F2 (0.54) F2PLGPLATLMNAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 — — US claimed
WO-2014111957-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS SATYAM APPARAO (IN) 2014-07-24 — — WO claimed
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 — — EP claimed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 — — WO claimed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 — — US claimed
US-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2009-12-10 — — US claimed
EP-2041108-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS Antibe Therapeutics Inc. (US) 2009-04-01 — — EP claimed
WO-2008009118-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 — — WO claimed
US-7186753-B1 Pharmaceutical compounds NICOX S.A. (FR) 2007-03-06 — — US claimed
US-6986901-B2 Gastrointestinal compositions WARNER-LAMBERT COMPANY LLC (US) 2006-01-17 — — US claimed
EP-1169294-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2002-01-09 — — EP claimed
EP-1169298-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2002-01-09 — — EP claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 — — CN claimed
WO-2001012584-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2001-02-22 — — WO claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 — — EP claimed
WO-2000061549-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 — — WO claimed
WO-2000061541-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 — — WO claimed
WO-2000061537-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 — — WO claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 — — WO claimed
WO-1998022114-A1 A METHOD FOR PROMOTING TISSUE REPAIR DUMEX-ALPHARMA A/S (DK) 1998-05-28 — — WO claimed

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-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS HRH4, HRH2, HNMT F2 4620/4885PLG 4029/4885PLAT 4637/4885
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents NOS2, NOS1, NOS3 F2 1609/4885PLG 780/4885PLAT 1946/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS F2 2360/4885PLG 57/4885PLAT 1067/4885

“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.