SCHEMBL2830901

SCHEMBL2830901

COC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.73
HDAC2 Q92769 1/20 0.73
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MEN1 O00255 2/20 0.65
CASP3 P42574 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
TSHR P16473 2/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
HCAR2 Q8TDS4 1/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL108088 0.85 NPC1 (0.80) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL2831805 0.85 HDAC1 (0.83) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL11695764 0.83 RAB9A (0.76) HDAC1HDAC2RAB9ANPC1SMN1; SMN2
SCHEMBL13675934 0.82 RAB9A (0.74) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL2830899 0.80 HDAC1 (0.64) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL2833387 0.79 MEN1 (0.57) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL29245024 0.78 ALDH1A1 (0.69) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7133386 0.77 HDAC1 (0.60) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL2601402 0.77 SMN1; SMN2 (0.61) HDAC1HDAC2KMT2ASMN1; SMN2MEN1
SCHEMBL2839287 0.76 RAB9A (0.74) HDAC1RAB9ANPC1KMT2AMEN1

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 HDAC1 1060/4885HDAC2 2605/4885RAB9A 3219/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 HDAC1 1020/4885HDAC2 2552/4885RAB9A 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.