SCHEMBL6037245

SCHEMBL6037245

CC(C)C(C(=O)O)(c1ccccc1)N(c1ccccc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
PTPN1 P18031 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33

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
SCHEMBL6037246 1.00 CYP1A2 (0.42) CYP1A2CYP2D6PTPN1CYP2C19CYP3A4
SCHEMBL9282288 0.79 CYP3A4 (0.33) CYP2C19CYP3A4CYP2C9NPSR1SMN1; SMN2
SCHEMBL2089215 0.75 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19KMT2AHIF1A
SCHEMBL28991134 0.74 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL7363683 0.69 KMT2A (0.40) CYP2C19CYP3A4CYP2C9NPSR1MEN1
SCHEMBL9282285 0.68 KIF11 (0.33) CYP1A2CYP2D6PTPN1CYP2C19CYP3A4
SCHEMBL10881374 0.68 PTPN1 (0.47) PTPN1NPSR1MEN1KMT2AHTT
SCHEMBL6037244 0.67 MEN1 (0.41) CYP1A2CYP2D6PTPN1CYP2C19CYP3A4
SCHEMBL5689660 0.65 CYP1A2 (0.37) CYP1A2CYP2D6NPSR1LMNA
SCHEMBL15239188 0.64 PTPN1 (0.52) CYP1A2CYP2D6PTPN1CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060088877-A1 Systematic evolution of ligands by exponential enrichment: Chemi-SELEX GILEAD SCIENCES, INC. (US) 2006-04-27 US disclosed
EP-0840742-A4 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: CHEMI-SELEX NEXSTAR PHARMACEUTICALS INC (US) 2003-11-12 EP disclosed
US-20030186231-A1 Systematic evolution of ligands by exponential enrichment: Chemi-ESLEX GILEAD SCIENCES, INC. 2003-10-02 US disclosed
US-6300074-B1 A NUCLEIC ACID LIGAND CONTAINING A CHEMICALLY REACTIVE FUNCTIONAL GROUP BOND TO A TARGET LIGAND FORMING A COVALENT COMPLEX FOR EFFECIENT PARTIONING OF THE DESIRED COMPLEX IN A CANDIDATE MIXTURE GILEAD SCIENCES, INC. 2001-10-09 US disclosed
US-5998142-A NUCLEIC ACID LIGAND WHICH BINDS TO PROTEIN NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-07 US disclosed
US-5962219-A DETECTING NUCLEIC ACIDS WITH ACTIVITY BY MIXING WITH TARGET, FORMING COVALENT BOND BETWEEN TARGET AND CHEMICALLY REACTIVE UNIT OF NUCLEIC ACID, SEPARATING NUCLEIC ACIDS WITH ACTIVITY FROM NONREACTIVE NUCLEIC ACIDS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
US-5763595-A NUCLEIC ACID LIGANDS WHICH BIND COVALENTLY WITH PROTEIN NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-09 US disclosed
EP-0840742-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: CHEMI-SELEX NeXstar Pharmaceuticals, Inc. (US) 1998-05-13 EP disclosed
US-5705337-A NUCLEIC ACID DETECTION OF LIGANDS THAT BIND COVALENTLY WITH TARGET MOLECULE COMPLEXES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-01-06 US disclosed
WO-1996027605-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: CHEMI-SELEX NEXSTAR PHARMACEUTICALS, INC. (US) 1996-09-12 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-20060088877-A1 Systematic evolution of ligands by exponential enrichment: Chemi-SELEX CLASP1, PCNA, DCLRE1B CYP1A2 4546/4885CYP2D6 4237/4885PTPN1 4682/4885
US-20030186231-A1 Systematic evolution of ligands by exponential enrichment: Chemi-ESLEX CLASP1, DCLRE1B, PCNA CYP1A2 4813/4885CYP2D6 4521/4885PTPN1 4666/4885

“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.