SCHEMBL18489377

SCHEMBL18489377

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ FDFT1 P37268 1/20 0.31

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
SCHEMBL18489379 1.00 ALDH1A1 (0.33) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL3228504 0.82 APLNR (0.39) ALDH1A1
SCHEMBL24322112 0.80 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL29515045 0.80 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL24021330 0.80 MMP2 (0.30) MMP2MMP9MMP8MMP13
SCHEMBL29480717 0.79 FDFT1 (0.34) MMP2MMP9MMP8MMP13FDFT1
SCHEMBL22735953 0.79 FDFT1 (0.34) MMP2MMP9MMP8MMP13FDFT1
SCHEMBL5738845 0.78 PTGS1 (0.35) ALDH1A1
SCHEMBL18504414 0.77 ALDH1A1 (0.39) ALDH1A1MMP2MMP9MMP13
SCHEMBL29108191 0.77 CYP11B1 (0.33) FDFT1

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 10 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
EP-3334721-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-04-28 — — EP disclosed
US-9708297-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-07-18 — — US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 — — US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 — — US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 — — US disclosed
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — 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 (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-20170044163-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR ALDH1A1 1467/4885MMP2 2182/4885MMP9 2268/4885
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR ALDH1A1 1467/4885MMP2 2182/4885MMP9 2268/4885

“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.

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