SCHEMBL4560258

SCHEMBL4560258

O=c1[nH]occ1C1CCCC=N1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.30

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
SCHEMBL5932046 0.65 LDHA (0.31) LDHA
SCHEMBL290575 0.61 TAAR1 (0.42)
SCHEMBL6237482 0.61
SCHEMBL4998332 0.59 HTR2C (0.50)
SCHEMBL9030265 0.59 KDM1A (0.46)
SCHEMBL7447299 0.59
SCHEMBL3389545 0.59 NOS1 (0.46)
SCHEMBL6984661 0.59 KDM4E (0.31)
SCHEMBL6653603 0.58 GAA (0.45)
SCHEMBL7196817 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311249-A1 Capecitabine Combination Therapy ARIAD PHARMACEUTICALS, INC. 2009-12-17 US disclosed
EP-2032168-A1 CAPECITABINE COMBINATION THERAPY ARIAD GENE THERAPEUTICS, INC. (US) 2009-03-11 EP disclosed
WO-2007143212-A1 CAPECITABINE COMBINATION THERAPY ARIAD GENE THERAPEUTICS, INC. (US) 2007-12-13 WO disclosed
US-6710086-B1 CHEMICALLY MODIFIED PHARMACOLOGICALLY ACTIVE AGENT IN CARRIER; REDUCE THE DAMAGE TO THE GASTROINTESTINAL TRACT MEDINOX, INC. 2004-03-23 US disclosed
US-6649591-B2 Dithiocarbamates linked to the surface of a non-immunogenic, non-targeting macromolecule other than an antibody (e.g., albumin protein); treating cerebral stroke and other ischemia/reperfusion injury MEDINOX, INC. 2003-11-18 US disclosed
US-20030181495-A1 Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor MEDINOX, INC. 2003-09-25 US disclosed
US-6596770-B2 Disulfide derivative of a dithiocarbamate is coadministered with an agent that inactivates (or inhibits the production of)the species that induce the expression of nitric oxide synthase MEDINOX, INC. 2003-07-22 US disclosed
US-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor MEDINOX, INC. 2003-05-08 US disclosed
US-20020151540-A1 Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor MEDINOX, INC. 2002-10-17 US disclosed
US-6407135-B1 NITRIC OXIDE SCAVENGER COVALENTLY BONDED TO NON-STEROIDAL ANTIINFLAMMATORY AGENT OR OTHER DRUG; SIDE EFFECT REDUCTION MEDINOX, INC. 2002-06-18 US disclosed
US-6093743-A FOR IN VIVO REDUCTION OF LEVELS OF NITRIC OXIDE, SUCH AS ARE INDUCED BY A VARIETY OF DISEASE STATES, AND FOR TREATMENT OF INFECTIOUS AND/OR INFLAMMATORY CONDITIONS MEDINOX INC. (US) 2000-07-25 US disclosed
EP-1001932-A1 CONJUGATES OF DITHIOCARBAMATES WITH PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR Medinox, Inc. (US) 2000-05-24 EP disclosed
WO-1999066918-A9 THERAPEUTIC METHODS EMPLOYING DISULFIDE DERIVATIVES OF DITHIOCARBAMATES AND COMPOSITIONS USEFUL THEREFOR MEDINOX INC (US) 2000-03-30 WO disclosed
WO-1999040907-A1 METHODS FOR THE CONTROLLED DELIVERY OF CARBON DISULFIDE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS MEDINOX, INC. (US) 1999-08-19 WO disclosed
WO-1999040787-A1 MODIFIED PHARMACOLOGICALLY ACTIVE AGENTS AND IMPROVED THERAPEUTIC METHODS EMPLOYING SAME MEDINOX, INC. (US) 1999-08-19 WO disclosed
EP-0927159-A1 POLYDITHIOCARBAMATE-CONTAINING MACROMOLECULES AND THE USE THEREOF FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS Medinox, Inc. (US) 1999-07-07 EP disclosed
WO-1998055453-A1 CONJUGATES OF DITHIOCARBAMATES WITH PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 1998-12-10 WO disclosed
EP-0866695-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS Medinox, Inc. (US) 1998-09-30 EP disclosed
WO-1998011066-A1 POLYDITHIOCARBAMATE-CONTAINING MACROMOLECULES AND THE USE THEREOF FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MEDINOX, INC. (US) 1998-03-19 WO disclosed
WO-1997018805-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX, INC. (US) 1997-05-29 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 (2 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-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor NOS1, PTGS1, NOS2 LDHA 845/4885
US-20090311249-A1 Capecitabine Combination Therapy RICTOR, MTOR, EIF4E LDHA 1518/4885

“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.