SCHEMBL3584966

SCHEMBL3584966

Cc1c(C(=O)O)[nH]c(C(N)=O)c1S(=O)(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
IL1RN P18510 1/20 0.35

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
SCHEMBL3579423 0.83 ALDH1A1 (0.44) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3586118 0.79 ALDH1A1 (0.46) MAPTLMNAKMT2AMEN1
SCHEMBL3579591 0.72 MEN1 (0.43) SMN1; SMN2MAPTLMNAPOLBGAA
SCHEMBL3589987 0.72 CRHBP (0.41) MAPTLMNAGAAKMT2AMEN1
SCHEMBL3578837 0.71 CRHBP (0.54) SMN1; SMN2MAPTLMNAGAA
SCHEMBL3583102 0.69 SLC1A3 (0.34) SMN1; SMN2MAPTLMNAPOLBGAA
SCHEMBL3870878 0.67 GAA (0.53) MAPTPOLBGAAKMT2AMEN1
SCHEMBL3583557 0.67 ACLY (0.35) KMT2AMEN1
SCHEMBL3576836 0.67 CYP1A2 (0.53) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3606479 0.66 MAPK1 (0.43) SMN1; SMN2TDP1MAPTLMNAGAA

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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 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 (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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E SMN1; SMN2 2261/4885TDP1 106/4885MAPT 1265/4885

“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.