SCHEMBL3454451

SCHEMBL3454451

O=S(=O)(Nc1cccnc1)c1cc(Cl)cc(Cl)c1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
ALPL P05186 10/20 0.57
ACLY P53396 2/20 0.55
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.48
PPARG P37231 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL3454061 0.83 ALDH1A1 (0.63) ALDH1A1ALPLKMT2ATP53TDP1
SCHEMBL3717535 0.77 ALDH1A1 (0.62) ALDH1A1ALPLKMT2ATP53TDP1
SCHEMBL3454118 0.76 KMT2A (0.55) ALDH1A1ALPLKMT2ATP53TDP1
SCHEMBL31371215 0.71 ALPL (1.00) ALDH1A1ALPLLMNAGAA
SCHEMBL15211944 0.71 ALPL (1.00) ALDH1A1ALPLLMNAGAA
SCHEMBL8130432 0.71 LMNA (0.56) ALDH1A1KMT2ATDP1LMNA
SCHEMBL21999615 0.71 ACLY (1.00) ALPLACLYPGR
SCHEMBL5802392 0.70 PGR (0.68) ALDH1A1KMT2APGR
SCHEMBL15212089 0.70 ALDH1A1 (0.76) ALDH1A1ALPLKMT2ATP53TDP1
SCHEMBL1471379 0.69 AR (0.59) ALDH1A1TDP1CYP3A4PPARGLMNA

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-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R ALDH1A1 2767/4885ALPL 4273/4885ACLY 4123/4885

“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.