SCHEMBL3583557

SCHEMBL3583557

Cc1c(C(=O)O)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAP2 P11137 5/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.33
SLC9A1 P19634 1/20 0.32
TPMT P51580 1/20 0.32

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
SCHEMBL3582909 0.95 ACLY (0.35) ACLYPTGDR2PDE4APDE4BPDE4C
SCHEMBL3583102 0.86 SLC1A3 (0.34) ACLYALDH1A1MEN1KMT2AGPR35
SCHEMBL3579591 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL3587823 0.79 KMT2A (0.45) ALDH1A1MEN1KMT2A
SCHEMBL3584470 0.75 MEN1 (0.42) ACLYMAP2ALDH1A1MAPK1MEN1
SCHEMBL3579793 0.75 CRHBP (0.40) PTGDR2MAP2ALDH1A1MEN1KMT2A
SCHEMBL3581851 0.74 MEN1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL3589589 0.74 MAP2 (0.35) PTGDR2MAP2
SCHEMBL3586766 0.74 KMT2A (0.38) PTGDR2MAP2ALDH1A1MEN1KMT2A
SCHEMBL3583915 0.73 HPGD (0.44) ALDH1A1MEN1KMT2A

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 ACLY 1288/4885PTGDR2 3924/4885PDE4A 847/4885

“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.