SCHEMBL6661724

SCHEMBL6661724

C[C@@H](C(=O)ON)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
PTGS2 P35354 2/20 0.47
PTGS1 P23219 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5 P09917 1/20 0.44
FAAH O00519 1/20 0.42
LMNA P02545 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15744225 1.00 KMT2A (0.48) KMT2APTGS2PTGS1CYP1A2CYP2D6
SCHEMBL8029603 1.00 KMT2A (0.48) KMT2APTGS2PTGS1CYP1A2CYP2D6
SCHEMBL5692490 0.83 KMT2A (0.52) KMT2APTGS2PTGS1CYP2D6FAAH
SCHEMBL7651108 0.83 KMT2A (0.52) KMT2APTGS2PTGS1CYP2D6FAAH
SCHEMBL6922515 0.82 PTGS1 (0.72) KMT2APTGS2PTGS1CYP2D6ALOX5
SCHEMBL28393668 0.82 ESR1 (0.46) KMT2APTGS1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL28308787 0.82 ESR1 (0.46) KMT2APTGS1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL1000872 0.82 LMNA (0.40) PTGS2CYP1A2LMNAKDM4EL3MBTL1
SCHEMBL183940 0.81 KMT2A (0.67) KMT2APTGS2PTGS1LMNAL3MBTL1
SCHEMBL5544986 0.81 KMT2A (0.67) KMT2APTGS2PTGS1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 US disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 KMT2A 2659/4885PTGS2 671/4885PTGS1 414/4885

“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.