SCHEMBL20239243

SCHEMBL20239243

CS(=O)(=O)NCCc1ccc(Oc2cc(CNc3ncc(Cl)cn3)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.42
SCD O00767 1/20 0.39
CYP3A4 P08684 1/20 0.39
VNN1 O95497 1/20 0.36
LOXL2 Q9Y4K0 3/20 0.36
LOX P28300 2/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
CNR2 P34972 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SGMS1 Q86VZ5 1/20 0.34

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
SCHEMBL20239265 0.84 DGAT2 (0.42) DGAT2CYP3A4VNN1LOXL2LOX
SCHEMBL18249766 0.83 PLAAT3 (0.44) VNN1LOXL2LOXHDAC3HDAC1
SCHEMBL20239191 0.82 LOXL2 (0.44) DGAT2VNN1LOXL2LOXHDAC3
SCHEMBL20239226 0.82 DGAT2 (0.53) DGAT2SCDCYP3A4VNN1ALDH1A1
SCHEMBL20259233 0.82 LOX (0.45) CYP3A4VNN1LOXL2LOXALDH1A1
SCHEMBL20239301 0.80 LMNA (0.41) CYP3A4VNN1LOXL2LOXALDH1A1
SCHEMBL20239188 0.77 DGAT2 (0.40) DGAT2VNN1LOXL2LOXRAB9A
Hydrochloric Acid SCHEMBL21924528 0.76 LOXL2 (0.40) DGAT2VNN1LOXL2LOX
Hydrochloric Acid SCHEMBL21924527 0.76 LOXL2 (0.40) DGAT2VNN1LOXL2LOX
SCHEMBL20239221 0.76 VNN1 (0.45) CYP3A4VNN1LOXL2LOXALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed
US-10053429-B2 DGAT2 inhibitors ELI LILLY AND COMPANY (US) 2018-08-21 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT DGAT2 1/4885SCD 246/4885CYP3A4 3118/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT DGAT2 1/4885SCD 222/4885CYP3A4 2675/4885

“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.