SCHEMBL6292801

SCHEMBL6292801

CC1=CN(Cc2ccccc2)Cc2oc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
FABP4 P15090 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL6292192 0.75 NR4A2 (0.39) NOTUMPOLBTSHRSMN1; SMN2LMNA
SCHEMBL27463494 0.66 ADORA1 (0.48) NPC1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL6704157 0.61 NR4A2 (0.35) POLBTSHRMEN1KMT2AHPGD
SCHEMBL6701140 0.61 POLB (0.42) POLBKMT2AKDM4EALDH1A1CYP2C19
SCHEMBL27952974 0.60 LMNA (0.41) POLBTSHRSMN1; SMN2LMNAKDM4E
SCHEMBL15520048 0.60 SIGMAR1 (0.44) POLBTSHRSMN1; SMN2LMNAMEN1
SCHEMBL28401940 0.60 MC4R (0.44) NOTUMPOLBTSHRSMN1; SMN2LMNA
Acetic Acid SCHEMBL28332665 0.60 CYP2D6 (0.49) NOTUMPOLBTSHRSMN1; SMN2LMNA
SCHEMBL29060314 0.59 GAA (0.42) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL25174316 0.58 PTGER4 (0.46) POLBKMT2AHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (1 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 NOTUM 2023/4885POLB 2737/4885TSHR 4379/4885

“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.