SCHEMBL18489396

SCHEMBL18489396

C[C@H](CS(=O)(=O)O)c1ccc(Br)nc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
FDFT1 P37268 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
EDNRA P25101 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
S100A9 P06702 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL18489359 0.78 CYP1A2 (0.40) GABBR2GABBR1MMP2MMP9MMP8
SCHEMBL28329064 0.78 CYP1A2 (0.40) GABBR2GABBR1MMP2MMP9MMP8
SCHEMBL6135180 0.78 ABCB11 (0.39) FDFT1ESR1ESR2S100A9
SCHEMBL21016278 0.75 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL22735953 0.74 FDFT1 (0.34) MMP2MMP9MMP8MMP13FDFT1
SCHEMBL29480717 0.74 FDFT1 (0.34) MMP2MMP9MMP8MMP13FDFT1
SCHEMBL5430413 0.72 OGA (0.39) FDFT1KMT2ALMNAMAPT
SCHEMBL1241173 0.71 FDFT1 (0.37) FDFT1ALDH1A1LMNA
SCHEMBL18489402 0.71 FDFT1 (0.37) FDFT1ALDH1A1LMNA
SCHEMBL29480695 0.71 FDFT1 (0.37) FDFT1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341370-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-04-28 EP disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 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-20170044163-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR GABBR2 206/4885GABBR1 305/4885MMP2 2182/4885

“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.