SCHEMBL2834858

SCHEMBL2834858

COC(=O)c1ccc(NC(=O)CCc2cccc(O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
RAB9A P51151 3/20 0.58
NPC1 O15118 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 6/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 5/20 0.53
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
ALOX12 P18054 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
NAMPT P43490 1/20 0.50

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
SCHEMBL17148381 0.86 RAB9A (0.61) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL2839287 0.85 RAB9A (0.74) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL2835626 0.83 POLB (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2833387 0.83 MEN1 (0.57) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL13422091 0.82 MEN1 (0.59) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL18422033 0.80 MAPT (0.56) RAB9AMAPTLMNAGAAHTT
SCHEMBL8661871 0.79 MEN1 (0.82) ALDH1A1HPGDRAB9ANPC1MEN1
Methylparaben SCHEMBL8170015 0.79 CYP4A11 (0.68) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL4745601 0.79 CA1 (0.71) ALDH1A1HPGDRAB9ANPC1
SCHEMBL1616412 0.77 LMNA (0.76) ALDH1A1NPC1MEN1KMT2AMAPT

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 5 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 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 ALDH1A1 774/4885HPGD 1951/4885RAB9A 3219/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 ALDH1A1 798/4885HPGD 1990/4885RAB9A 3161/4885

“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.