SCHEMBL6875774

SCHEMBL6875774

O=C(NC(=S)N[C@]1(c2cc(Br)ccc2F)COC[C@@H]1CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
BACE1 P56817 3/20 0.40
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALOX12 P18054 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL932323 1.00 EPHX1 (0.40) EPHX1BACE1ALDH1A1LMNAMAPT
SCHEMBL6878083 1.00 EPHX1 (0.40) EPHX1BACE1ALDH1A1LMNAMAPT
SCHEMBL18192949 0.89 EPHX1 (0.40) EPHX1ALDH1A1LMNAMAPTMEN1
SCHEMBL2111012 0.89 EPHX1 (0.44) EPHX1ALDH1A1LMNAMAPTMEN1
SCHEMBL18192916 0.85 EPHX1 (0.40) EPHX1ALDH1A1LMNAMAPTMEN1
SCHEMBL15769169 0.85 BACE1 (0.40) EPHX1BACE1ALDH1A1LMNAMAPT
SCHEMBL18192884 0.84 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTMEN1
SCHEMBL18192831 0.84 EPHX1 (0.40) EPHX1ALDH1A1LMNAMAPTMEN1
SCHEMBL15768807 0.81 BACE1 (0.36) EPHX1BACE1ALDH1A1LMNAMEN1
SCHEMBL15798977 0.81 BACE1 (0.36) EPHX1BACE1ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP EPHX1 476/4885BACE1 1/4885ALDH1A1 939/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP EPHX1 476/4885BACE1 1/4885ALDH1A1 939/4885

“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.