SCHEMBL19224682

SCHEMBL19224682

CN1C(=O)CCCc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 3/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
PKM P14618 3/20 0.43
ROCK1 Q13464 1/20 0.42
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
PNMT P11086 1/20 0.41
TP53 P04637 1/20 0.41
CYP17A1 P05093 1/20 0.40

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 1.00 TRIM24 (0.46) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL19207557 0.90 ROCK1 (0.40) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL20904003 0.80 TP53 (0.41) ALDH1A1ROCK1PNMTTP53LMNA
SCHEMBL17174804 0.78 ALDH1A1 (0.56) ALDH1A1GAAPKMROCK1MEN1
SCHEMBL10177054 0.78 ALDH1A1 (0.51) ALDH1A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL8600438 0.77 TRIM24 (0.53) TRIM24ALDH1A1GAAPKMCYP11B2
SCHEMBL12059735 0.77 LMNA (0.56) TRIM24BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL19224681 0.76 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8553135 0.76 BMPR1B (0.46) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL520474 0.76 ATAD2 (0.53) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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 (3 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TRIM24 4166/4885ALDH1A1 4405/4885GAA 2016/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TRIM24 4166/4885ALDH1A1 4405/4885GAA 2016/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TRIM24 4166/4885ALDH1A1 4405/4885GAA 2016/4885

“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.