SCHEMBL2835960

SCHEMBL2835960

NNS(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 1/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
PKM P14618 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
GHSR Q92847 6/20 0.47

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
SCHEMBL8213512 0.84 RXFP1 (0.59) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL29989081 0.82 KDM4E (0.60) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL4109831 0.82 KDM4E (0.60) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL7909167 0.81 PFKFB3 (0.56) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL13892314 0.81 RXFP1 (0.55) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL6029959 0.80 RXFP1 (0.57) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL11983425 0.79 KDM4E (0.60) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL29721452 0.79 KDM4E (0.60) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL297358 0.79 KDM4E (0.60) PFKFB3RXFP1KDM4ENPC1GLA
SCHEMBL3055723 0.79 KDM4E (0.60) PFKFB3RXFP1KDM4ENPC1GLA

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 PFKFB3 881/4885RXFP1 2735/4885KDM4E 2215/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 PFKFB3 885/4885RXFP1 2722/4885KDM4E 2146/4885

“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.