SCHEMBL62434

SCHEMBL62434

COC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BTK Q06187 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL86929 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10137131 0.93 SMN1; SMN2 (0.58) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17099600 0.91 BTK (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17099599 0.91 BTK (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL595592 0.91 BTK (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12265848 0.91 SMN1; SMN2 (0.44) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL595591 0.91 BTK (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL595590 0.91 BTK (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24906947 0.90 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2824374 0.90 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-4138580-A UNSATURATED HYDROCARBON, CARBON MONOXIDE, AND AN ALCOHOL UBE INDUSTRIES, LTD. (JP) 1979-02-06 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG SMN1; SMN2 4431/4885CHRNB2 4393/4885CHRNA4 4241/4885

“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.