SCHEMBL2830899

SCHEMBL2830899

Cc1cc(NC(=O)CCc2ccc3c(c2)OCO3)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 2/20 0.64
HCAR2 Q8TDS4 1/20 0.61
ALDH1A1 P00352 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
TRPV1 Q8NER1 1/20 0.53
LDLR P01130 1/20 0.51
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 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
SCHEMBL108088 0.86 NPC1 (0.80) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL13675934 0.82 RAB9A (0.74) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL11695764 0.81 RAB9A (0.76) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL2830901 0.80 HDAC1 (0.73) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL12359424 0.80 GAA (0.64) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL14441238 0.78 HCAR2 (0.62) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL2831805 0.78 HDAC1 (0.83) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL13675945 0.77 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7133386 0.75 HDAC1 (0.60) HDAC1HDAC2NPC1RAB9AHCAR2
SCHEMBL179086 0.75 SMN1; SMN2 (0.77) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2

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 2 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

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 2605/4885NPC1 1600/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 HDAC1 1020/4885HDAC2 2552/4885NPC1 1625/4885

“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.