SCHEMBL4198380

SCHEMBL4198380

NC(=O)C[C@H](O)C[C@@H](O)CC(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL4193689 0.84 ATM (0.41) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL4198386 0.84 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL4186785 0.81 L3MBTL1 (0.48) L3MBTL1MEN1KMT2APOLBTSHR
SCHEMBL4184867 0.80 HTR1A (0.40) L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL4186778 0.77 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL8488474 0.77 L3MBTL1 (0.48) L3MBTL1MEN1KMT2APOLBTSHR
SCHEMBL3818013 0.76 L3MBTL1 (0.55) L3MBTL1MEN1KMT2APOLBTSHR
SCHEMBL3056303 0.74 KDM4E (0.46) L3MBTL1MEN1KMT2AKDM4ETSHR
SCHEMBL4493204 0.74 USP2 (0.64) L3MBTL1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL4509344 0.74 USP2 (0.64) L3MBTL1KDM4ETSHRHSD17B10ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686987-A4 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-02-25 EP disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 US disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 US disclosed
EP-1686987-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-09 EP disclosed
WO-2005053614-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 WO disclosed
WO-2005053686-A1 INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 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-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH L3MBTL1 2815/4885MEN1 4665/4885KMT2A 1643/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 L3MBTL1 1974/4885MEN1 4193/4885KMT2A 2098/4885

“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.