SCHEMBL4222329

SCHEMBL4222329

CCCC(=O)NOc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 7/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
RARB P10826 4/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G4A P47712 1/20 0.43

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
SCHEMBL3857282 0.84 ALOX5 (0.51) ALDH1A1
SCHEMBL3703542 0.76 BCL9 (0.61) ALDH1A1KMT2A
SCHEMBL265614 0.74 TP53 (0.70) TP53CA1CA2ALDH1A1
SCHEMBL10792394 0.74 ALDH1A1 (0.47) TP53TSHRRARBALDH1A1KMT2A
SCHEMBL6562062 0.74 BCL9 (0.58) TP53TSHRPLA2G4BCA1CA2
SCHEMBL28444066 0.73 KDM4E (0.55) ALDH1A1
Hydrochloric Acid SCHEMBL6563873 0.72 BCL9 (0.57) TP53TSHRPLA2G4BCA1CA2
SCHEMBL20273171 0.72 CA1 (0.59) TP53TSHRPLA2G4BCA1CA2
Terephthalic Acid SCHEMBL9943962 0.72 FFAR3 (0.62) TP53TSHRPLA2G4BCA1CA2
SCHEMBL9787297 0.71 CYP3A4 (0.64) ALDH1A1KMT2A

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-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 US disclosed
US-7312361-B2 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-12-25 US disclosed
US-20060178527-A1 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-10 US 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-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation TTR, TTPA, APOB TP53 895/4885TSHR 1585/4885PLA2G4B 3375/4885
US-20060178527-A1 Inhibitors of transthyretin amyloid fibril formation TTR, TTPA, APOB TP53 895/4885TSHR 1585/4885PLA2G4B 3375/4885

“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.