SCHEMBL20239331

SCHEMBL20239331

CCc1cnc(NCc2cc(Oc3ccc(NS(C)(=O)=O)cc3)ccn2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
P2RX3 P56373 3/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LTA4H P09960 1/20 0.39
AR P10275 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
MMP1 P03956 1/20 0.37
SREBF1 P36956 1/20 0.37
SREBF2 Q12772 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 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
SCHEMBL20239328 0.83 DGAT2 (0.47) P2RX3GRIN1GRIN2B
SCHEMBL20239162 0.82 P2RX3 (0.39) PGRP2RX3HPGDGRIN1GRIN2B
SCHEMBL20239141 0.81 DGAT2 (0.42) PGRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20239338 0.81 SMN1; SMN2 (0.46) PGRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20472857 0.78 PGR (0.52) PGRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20472855 0.73 GPR39 (0.44) NPC1RAB9AMAPK1LMNAKMT2A
SCHEMBL20239316 0.73 PGR (0.41) PGRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14037412 0.72 PGR (0.50) PGRNPC1RAB9AP2RX3HPGD
SCHEMBL20239208 0.69 DGAT2 (0.53) PGRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20239215 0.69 PGR (0.37) PGRNPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT PGR 2121/4885NPC1 33/4885RAB9A 1170/4885

“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.