SCHEMBL933447

SCHEMBL933447

C=CCOCC(=O)c1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
KAT6A Q92794 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
CES2 O00748 1/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 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
SCHEMBL15145489 0.81 HPGD (0.46) DGAT1TSHRHPGDALDH1A1RAB9A
SCHEMBL966670 0.81 ALDH1A1 (0.40) GAATSHRHPGDALDH1A1KDM4E
SCHEMBL932912 0.81 ALDH1A1 (0.40) GAATSHRHPGDALDH1A1KDM4E
SCHEMBL18192896 0.77 KDM4E (0.37) GAATSHRHPGDALDH1A1KDM4E
SCHEMBL21764438 0.77 HPGD (0.36) DGAT1GAATSHRHPGDALDH1A1
SCHEMBL20271951 0.75 DGAT1 (0.33) DGAT1GAAHPGDALDH1A1NPC1
SCHEMBL17962978 0.74 TERT (0.39) DGAT1GAAHPGDALDH1A1NPC1
SCHEMBL18498599 0.74 CES2 (0.47) TSHRHPGDALDH1A1HSD17B10RAB9A
SCHEMBL967567 0.74 TDP1 (0.48) GAAHPGDALDH1A1KDM4ENPC1
SCHEMBL18032970 0.73 HPGD (0.36) DGAT1HPGDALDH1A1KDM4EPTGDR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010925-B1 BACE INHIBITORS LILLY CO ELI (US) 2017-10-04 EP disclosed
EP-3010925-B1 BACE INHIBITORS LILLY CO ELI (US) 2017-10-04 EP disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
EP-3010925-A1 BACE INHIBITORS Eli Lilly & Company (US) 2016-04-27 EP disclosed
US-9169271-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2015-10-27 US disclosed
US-9169271-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2015-10-27 US disclosed
US-9169271-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2015-10-27 US disclosed
US-20150210716-A1 BACE INHIBITORS LILLY CO ELI (US) 2015-07-30 US disclosed
US-20150210716-A1 BACE INHIBITORS LILLY CO ELI (US) 2015-07-30 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-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP 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
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
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 (3 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 DGAT1 2179/4885GAA 22/4885TSHR 4824/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP DGAT1 2179/4885GAA 22/4885TSHR 4824/4885
US-20150210716-A1 BACE INHIBITORS BACE1, BACE2, APP DGAT1 3798/4885GAA 48/4885TSHR 3005/4885

“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.