SCHEMBL19714840

SCHEMBL19714840

COC(=O)[C@H]1CC[C@H](OS(C)(=O)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
GAA P10253 1/20 0.34
MMP2 P08253 2/20 0.34
ANPEP P15144 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.32
VDR P11473 1/20 0.31

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
SCHEMBL1139874 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19714838 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6913321 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22411455 0.90 TP53 (0.44) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL712213 0.90 TP53 (0.44) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17869206 0.89 TP53 (0.53) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29046731 0.89 TP53 (0.53) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17784083 0.89 TP53 (0.53) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21222682 0.87 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1498367 0.87 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3

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-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof VASADE BIOSCIENCES, INC. 2018-09-25 US disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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 (2 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-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof ADCY1, ADCY2, ADCY5 TP53 4864/4885CHRNB2 916/4885CHRNA4 1176/4885
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 TP53 4864/4885CHRNB2 916/4885CHRNA4 1176/4885

“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.