SCHEMBL20139381

SCHEMBL20139381

C=CCOc1cc(OCc2ccccc2)c(Br)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
PTPN1 P18031 4/20 0.45
ERN1 O75460 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TLR9 Q9NR96 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL1539204 0.91 SMN1; SMN2 (0.52) SMN1; SMN2RAB9APTPN1ERN1CCNB2
SCHEMBL4998983 0.86 PTPN1 (0.48) SMN1; SMN2PTPN1ERN1HPGDALDH1A1
SCHEMBL20139379 0.83 PTPN1 (0.61) SMN1; SMN2RAB9APTPN1ERN1HPGD
SCHEMBL7078292 0.83 ERN1 (0.56) SMN1; SMN2RAB9APTPN1ERN1CCNB2
SCHEMBL3603467 0.82 PTPN1 (0.50) SMN1; SMN2RAB9APTPN1ERN1CCNB2
SCHEMBL11452343 0.81 CCNB2 (0.59) SMN1; SMN2RAB9AERN1CCNB2CDK1
SCHEMBL31056363 0.80 SMN1; SMN2 (0.47) SMN1; SMN2RAB9APTPN1ERN1CCNB2
SCHEMBL6629023 0.79 BCHE (0.51) SMN1; SMN2RAB9APTPN1ERN1CCNB2
SCHEMBL6409166 0.79 BCHE (0.51) SMN1; SMN2RAB9AERN1CCNB2CDK1
SCHEMBL207723 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RAB9APTPN1ERN1CCNB2

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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO 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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 SMN1; SMN2 3695/4885RAB9A 2959/4885PTPN1 1940/4885

“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.