SCHEMBL23914602

SCHEMBL23914602

CC(=O)OCc1nc2cc(OCC3CC3)c(Br)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MELK Q14680 2/20 0.36
ROCK2 O75116 1/20 0.36
IDO1 P14902 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CHEK2 O96017 2/20 0.33
RHEB Q15382 1/20 0.33

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
SCHEMBL23914852 0.85 XDH (0.43) S1PR2SMN1; SMN2MAPTMAPK1
SCHEMBL23966533 0.83 XDH (0.45) S1PR2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL16758605 0.76 S1PR2 (0.42) S1PR2IDO1RHEB
SCHEMBL16744242 0.73 EGFR (0.40) S1PR2SMN1; SMN2MAPTCNR2MELK
Trifluoroacetic Acid SCHEMBL16738688 0.72 S1PR2 (0.39) S1PR2SMN1; SMN2MAPTMELKROCK2
SCHEMBL16738691 0.69 NPC1 (0.43) MAPTCYP2D6CYP2C9
SCHEMBL23966548 0.69 DGAT1 (0.34) CNR2
Trifluoroacetic Acid SCHEMBL16738747 0.68 KDM4E (0.38) S1PR2SMN1; SMN2MAPTMELKROCK2
SCHEMBL23966550 0.68 CNR2 (0.32) CNR2
SCHEMBL23915573 0.68 SCN9A (0.33) CNR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885SMN1; SMN2 2920/4885MAPT 4876/4885

“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.