SCHEMBL2836732

SCHEMBL2836732

COC(=O)c1cccc(NC(=O)CCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
HPGD P15428 1/20 1.00
MAPT P10636 3/20 0.79
LMNA P02545 1/20 0.72
GAA P10253 3/20 0.71
RAB9A P51151 4/20 0.70
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.63
ALOX15 P16050 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MDH1 P40925 1/20 0.58

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
SCHEMBL28745974 0.86 GAA (0.79) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL2839287 0.85 RAB9A (0.74) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL7244561 0.84 ALDH1A1 (0.72) ALDH1A1HPGDMAPTGAARAB9A
SCHEMBL23652963 0.83 MAPT (0.79) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL6582663 0.82 MAPT (0.73) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL30452440 0.82 RAB9A (1.00) ALDH1A1HPGDMAPTGAARAB9A
SCHEMBL16709808 0.82 ALDH1A1 (0.69) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL7575475 0.81 ALDH1A1 (0.70) ALDH1A1HPGDLMNARAB9ACYP1A2
SCHEMBL27521337 0.81 RAB9A (0.69) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL13061840 0.80 RAB9A (0.84) ALDH1A1HPGDMAPTLMNAGAA

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 1951/4885MAPT 4427/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 ALDH1A1 798/4885HPGD 1990/4885MAPT 4446/4885

“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.