SCHEMBL3228005

SCHEMBL3228005

CSC(=N)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.42
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL15753222 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL6252907 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL2321110 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL8419163 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL10666425 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL20243293 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL30263351 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL23651643 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL20921393 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
Benzyl Dimethylcarbamate SCHEMBL5134244 0.74 ALDH1A1 (0.62) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
WO-2010028389-A1 IMAGE-GUIDED ENERGY DEPOSITION FOR TARGETED DRUG DELIVERY THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2010-03-11 WO disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 US disclosed
EP-1809275-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-25 EP disclosed
WO-2006044707-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed
EP-1044967-B1 2-Pyridinylguanidine urokinase inhibitors PFIZER (US) 2004-08-11 EP disclosed
CN-1515550-A Thrombosis resisting preparation 2004-07-28 CN disclosed
US-20030203914-A1 2-Pyridinylguanidine urokinase inhibitors DICKINSON ROGER PETER (GB) 2003-10-30 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
US-6583162-B1 2-pyridinylguanidine urokinase inhibitors WARNER-LAMBERT COMPANY 2003-06-24 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed
WO-1999067215-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-29 WO disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed
US-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
EP-0802916-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC (CA) 1997-10-29 EP disclosed
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 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 (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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 ALDH1A1 2641/4885L3MBTL1 2500/4885TDP1 637/4885
US-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 ALDH1A1 1164/4885L3MBTL1 4755/4885TDP1 4649/4885
US-20030203914-A1 2-Pyridinylguanidine urokinase inhibitors PLAU, SERPINE1, REN ALDH1A1 587/4885L3MBTL1 3920/4885TDP1 657/4885

“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.