SCHEMBL3025870

SCHEMBL3025870

O=[N+]([O-])c1cccc(S(=O)(=O)NCCO)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.83
MEN1 O00255 2/20 0.83
CYP19A1 P11511 1/20 0.66
CA2 P00918 2/20 0.66
MMP2 P08253 2/20 0.66
CA1 P00915 1/20 0.66
MMP1 P03956 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 2/20 0.60
PKM P14618 1/20 0.60
ALDH1A1 P00352 3/20 0.59
CYP2C19 P33261 1/20 0.57
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL5152165 0.92 KMT2A (0.78) KMT2AMEN1CYP19A1CA2MMP2
Dinsed SCHEMBL1814194 0.91 KMT2A (1.00) KMT2AMEN1CYP19A1CA2MMP2
SCHEMBL27625297 0.85 KMT2A (0.83) KMT2AMEN1CYP19A1CA2MMP2
SCHEMBL5149362 0.83 KMT2A (0.78) KMT2AMEN1CYP19A1CA2MMP2
SCHEMBL2034554 0.83 KMT2A (0.78) KMT2AMEN1CYP19A1CA2MMP2
SCHEMBL2564566 0.83 CA1 (0.61) KMT2AMEN1CYP19A1CA2MMP2
SCHEMBL9121912 0.82 CYP2C19 (0.69) KMT2AMEN1PKMALDH1A1CYP2C19
SCHEMBL3973449 0.82 MEN1 (0.72) KMT2AMEN1CYP19A1CA2MMP2
SCHEMBL7623885 0.82 CYP2C19 (0.73) KMT2AMEN1PKMALDH1A1CYP2C19
SCHEMBL922441 0.82 KMT2A (0.77) KMT2AMEN1CYP19A1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
CN-101589043-A Purine derivatives PALAU PHARMA SA (ES) 2009-11-25 CN disclosed
EP-2118105-A1 PURINE DERIVATIVES Palau Pharma, S.A. (ES) 2009-11-18 EP disclosed
WO-2008090181-A1 PURINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2008-07-31 WO disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885MEN1 3621/4885CYP19A1 2053/4885
US-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 KMT2A 2127/4885MEN1 3520/4885CYP19A1 4012/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885MEN1 3621/4885CYP19A1 2053/4885

“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.