SCHEMBL20139435

SCHEMBL20139435

Fc1cc(Cl)c(Cc2ccc3c(c2)CC3)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 12/20 0.51
SLC5A1 P13866 10/20 0.51
MPO P05164 1/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN9A Q15858 1/20 0.31
SNCA P37840 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
SCHEMBL20139446 0.82 SLC5A1 (0.51) SLC5A2SLC5A1MPOKDM1AKDM1B
SCHEMBL20140227 0.79 SLC5A1 (0.53) SLC5A2SLC5A1ALDH1A1MAPT
SCHEMBL16682942 0.79 SNCA (0.47) SLC5A2SLC5A1MPOHPGDCYP1A2
SCHEMBL20139367 0.77 SLC5A2 (0.48) SLC5A2SLC5A1MPOHPGDALDH1A1
SCHEMBL20140091 0.74 SLC5A1 (0.42) SLC5A2SLC5A1
SCHEMBL20139495 0.69 HTR2A (0.42) SLC5A2SLC5A1KDM1A
SCHEMBL20140121 0.69 NPC1 (0.41) HPGDALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL28490129 0.68 KDM1A (0.38) KDM1AKDM1B
SCHEMBL16682980 0.67 GRIN2B (0.35) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL20139399 0.67 SLC5A2 (0.42) SLC5A2SLC5A1ALDH1A1

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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US 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 SLC5A2 1/4885SLC5A1 2/4885MPO 3905/4885

“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.