SCHEMBL6037244

SCHEMBL6037244

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
FDPS P14324 4/20 0.35
PTPN1 P18031 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MLYCD O95822 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 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
SCHEMBL28991134 0.67 CYP1A2 (0.46) MEN1KMT2ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL6037245 0.67 CYP1A2 (0.42) MEN1KMT2AHTTCYP1A2CYP2D6
SCHEMBL6037246 0.67 CYP1A2 (0.42) MEN1KMT2AHTTCYP1A2CYP2D6
SCHEMBL9437359 0.66 KMT2A (0.47) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL6662822 0.65 SRC (0.45) MEN1KMT2AHTTALDH1A1
SCHEMBL6662826 0.65 SRC (0.45) MEN1KMT2AHTTALDH1A1
SCHEMBL3390152 0.64 RIPK1 (0.38) MEN1KMT2AHTTCYP1A2CYP2D6
SCHEMBL28701694 0.63 KMT2A (0.44) MEN1KMT2AHTTCYP1A2SMN1; SMN2
SCHEMBL15239188 0.63 PTPN1 (0.52) CYP1A2CYP2D6ALDH1A1FDPSPTPN1
SCHEMBL20898578 0.63 MEN1 (0.41) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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 MEN1 3881/4885KMT2A 2276/4885HTT 4039/4885
US-20030186231-A1 Systematic evolution of ligands by exponential enrichment: Chemi-ESLEX CLASP1, DCLRE1B, PCNA MEN1 2689/4885KMT2A 3217/4885HTT 3860/4885

“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.