SCHEMBL7748746

SCHEMBL7748746

N=C(N)c1ccc(OCCCCC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.74
PRMT1 Q99873 3/20 0.72
F2 P00734 2/20 0.72
ST14 Q9Y5Y6 2/20 0.72
TMPRSS2 O15393 2/20 0.72
PLAU P00749 1/20 0.72
PRMT5 O14744 1/20 0.72
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
PTP4A3 O75365 1/20 0.72
SLC22A3 O75751 1/20 0.72
F10 P00742 1/20 0.72
PLG P00747 1/20 0.72
S100B P04271 1/20 0.72
CHRM2 P08172 1/20 0.72
CHRM4 P08173 1/20 0.72
CHRM5 P08912 1/20 0.72
ADRA2A P08913 1/20 0.72
CYP2D6 P10635 1/20 0.72
AOC1 P19801 1/20 0.72

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
SCHEMBL5522432 0.98 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL14599520 0.98 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL21462087 0.98 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
Hydrochloric Acid SCHEMBL5526299 0.97 PRSS1 (0.76) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL8407255 0.95 PRSS1 (0.68) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL7748657 0.95 PRSS1 (0.71) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL27820863 0.94 PRMT1 (0.77) PRSS1PRMT1F2ST14TMPRSS2
Hydrochloric Acid SCHEMBL8409943 0.93 PRSS1 (0.69) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL8410366 0.91 PRSS1 (0.65) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL12461746 0.90 ITGB3 (0.70) PRSS1PRMT1F2ST14TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US disclosed
US-20070099906-A1 Combinations for the treatment of noeplastic disorders COMBINATORX, INC. 2007-05-03 US disclosed
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP 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 (6 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-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC PRSS1 2212/4885PRMT1 2584/4885F2 2085/4885
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 PRSS1 1743/4885PRMT1 4691/4885F2 4843/4885
US-20070099906-A1 Combinations for the treatment of noeplastic disorders NOP56, XPOT, NPM1 PRSS1 4047/4885PRMT1 406/4885F2 2263/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 PRSS1 2775/4885PRMT1 2874/4885F2 1152/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 PRSS1 346/4885PRMT1 2596/4885F2 2448/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 PRSS1 2775/4885PRMT1 2874/4885F2 1152/4885

“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.