SCHEMBL2832908

SCHEMBL2832908

NNC(=O)c1ccc(NC(=O)CCc2ccc(O)c(O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.60
ALOX15 P16050 7/20 0.57
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
TOP1 P11387 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NAMPT P43490 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL108603 0.84 ALOX15 (0.67) CCR5ALOX15GAAPKM
SCHEMBL2835626 0.83 POLB (0.52) ALOX15HDAC1HDAC2HDAC8CA1
SCHEMBL2833387 0.83 MEN1 (0.57) CCR5ALOX15HDAC1HDAC2CA1
SCHEMBL9345909 0.81 MAPT (0.68) CCR5ALOX15GAA
SCHEMBL23067196 0.81 IAPP (0.57) ALOX15GAA
SCHEMBL2832427 0.80 MAPT (0.71) HDAC1HDAC2HDAC8GAA
SCHEMBL2831805 0.79 HDAC1 (0.83) HDAC1HDAC2NAMPT
SCHEMBL4079637 0.76 L3MBTL1 (0.68) PKM
SCHEMBL2836138 0.74 CYP3A4 (0.53) HDAC1CA1CA2CA9GAA
SCHEMBL4666929 0.73 SELP (0.68) HDAC1HDAC2TOP1GAA

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-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US claimed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US claimed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP claimed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO claimed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 CCR5 3415/4885ALOX15 1320/4885HDAC1 1060/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 CCR5 3446/4885ALOX15 1330/4885HDAC1 1020/4885

“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.