SCHEMBL20140184

SCHEMBL20140184

COc1cc(OC(F)(F)F)c(Br)cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PRKDC P78527 1/20 0.50
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
ERN1 O75460 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
PTPN1 P18031 2/20 0.40
TNFRSF1A P19438 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL21822689 0.94 PRKDC (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL22230887 0.87 PRKDC (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20136051 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1539323 0.84 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29655238 0.84 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL21822957 0.84 LMNA (0.38) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20140284 0.82 PRKDC (0.40) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20141304 0.81 LMNA (0.42) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL21822661 0.79 ERN1 (0.41) PRKDCCYP1A1CYP1B1ERN1LMNA
SCHEMBL30634680 0.79 ERN1 (0.41) PRKDCCYP1A1CYP1B1ERN1LMNA

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 ALDH1A1 2392/4885KDM4E 2780/4885TSHR 3321/4885

“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.