SCHEMBL17005196

SCHEMBL17005196

C=CCN(CC(=O)c1ccncc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PLOD2 O00469 2/20 0.45
PLOD3 O60568 2/20 0.45
PLOD1 Q02809 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NAPRT Q6XQN6 1/20 0.40
SNCA P37840 1/20 0.38
CA1 P00915 1/20 0.38
GAA P10253 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL15282567 0.85 ALDH1A1 (0.45) ALDH1A1HPGDCYP1A2CYP3A4HIF1A
SCHEMBL15661764 0.82 PLOD2 (0.51) ALDH1A1PLOD2PLOD3PLOD1CYP1A2
SCHEMBL5803050 0.81 GSK3B (0.44) ALDH1A1HPGDL3MBTL1KDM4ELMNA
SCHEMBL15672497 0.79 SMN1; SMN2 (0.38) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL27883074 0.78 SMN1; SMN2 (0.50) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL17014178 0.76 SMN1; SMN2 (0.42) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL15282638 0.75 SMN1; SMN2 (0.33) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL17005191 0.75 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1NAPRTGAA
SCHEMBL15658741 0.75 KDM4E (0.45) ALDH1A1CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL9213726 0.73 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2CYP3A4HIF1A

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-2912041-B1 TETRAHYDROPYRROLOTHIAZINE DERIVATIVES AS BACE INHIBITORS LILLY CO ELI (US) 2016-12-14 EP disclosed
US-9328124-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2016-05-03 US disclosed
US-20150232483-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2015-08-20 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-20150232483-A1 BACE INHIBITORS BACE1, BACE2, APP ALDH1A1 1107/4885PLOD2 4824/4885PLOD3 4426/4885

“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.