SCHEMBL20904003

SCHEMBL20904003

BC(B)(B)N1C(=O)CCCc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
PNMT P11086 1/20 0.40
ROCK1 Q13464 1/20 0.39
PTGS2 P35354 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
HTR6 P50406 1/20 0.34
ALDH3A1 P30838 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31249742 0.80 TRIM24 (0.46) TP53PNMTROCK1ALDH1A1LMNA
SCHEMBL19224682 0.80 TRIM24 (0.46) TP53PNMTROCK1ALDH1A1LMNA
SCHEMBL19207557 0.77 ROCK1 (0.40) TP53PNMTROCK1CA12CA1
SCHEMBL17174804 0.71 ALDH1A1 (0.56) TP53PNMTROCK1GLAPOLB
SCHEMBL12828070 0.70 CA12 (0.66) PNMTPTGS2CA12CA1CA2
SCHEMBL14256474 0.70 ROCK1 (0.49) PNMTROCK1CA12CA1CA2
SCHEMBL17169798 0.68 LMNA (0.44) TP53PNMTROCK1GLAPOLB
SCHEMBL15739728 0.67 ROCK1 (0.52) TP53PNMTROCK1CA12CA1
SCHEMBL11948273 0.67 PNMT (0.61) PNMTCA12CA1CA2CA7
SCHEMBL12905326 0.65 ROCK1 (0.50) TP53PNMTROCK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 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-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TP53 95/4885PNMT 2812/4885ROCK1 318/4885

“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.