SCHEMBL2834391

SCHEMBL2834391

COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
ATM Q13315 1/20 0.58
PTPN1 P18031 1/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
NAMPT P43490 1/20 0.53
PSMD14 O00487 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL2505911 0.91 ALDH1A1 (0.53) NPC1RAB9AATMKMT2AMEN1
SCHEMBL17202869 0.87 NAMPT (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4315966 0.84 MEN1 (0.59) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL21661749 0.82 NAMPT (0.72) NPC1RAB9AATMKMT2AMEN1
SCHEMBL24891764 0.82 NAMPT (0.65) NPC1RAB9AATMPTPN1MAPT
SCHEMBL6263820 0.82 NPC1 (0.83) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL8660366 0.82 NPC1 (0.83) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL2832414 0.81 PTPN1 (0.68) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL15600318 0.81 CA1 (0.50) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2832940 0.80 MEN1 (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1

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 NPC1 1600/4885RAB9A 3219/4885ATM 1328/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 NPC1 1625/4885RAB9A 3161/4885ATM 1335/4885

“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.