SCHEMBL19403045

SCHEMBL19403045

O=C(O)[C@@H]1C[C@H](OCc2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
AGTR2 P50052 2/20 0.43
BCHE P06276 2/20 0.43
ALDH1A1 P00352 4/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.40
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
BDKRB2 P30411 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL31629437 1.00 CTSL (0.44) CTSLCTSBCTSKAGTR2BCHE
SCHEMBL19403046 0.86 BCHE (0.43) CTSLCTSBCTSKAGTR2BCHE
SCHEMBL31629597 0.84 TSHR (0.42) BCHEALDH1A1EPHX2
SCHEMBL14478947 0.84 BCHE (0.51) CTSLCTSBCTSKBCHEALDH1A1
SCHEMBL14478960 0.81 BCHE (0.46) CTSLCTSBCTSKBCHEALDH1A1
SCHEMBL402480 0.81 BCHE (0.46) CTSLCTSBCTSKBCHEALDH1A1
SCHEMBL31629581 0.79 CTSL (0.38) CTSLCTSBCTSKAGTR2BCHE
SCHEMBL31629578 0.79 CTSL (0.38) CTSLCTSBCTSKAGTR2BCHE
SCHEMBL52862 0.77 ALDH1A1 (0.44) CTSLCTSBCTSKAGTR2BCHE
SCHEMBL19403042 0.77 CTSL (0.45) CTSLCTSBCTSKAGTR2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 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-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 CTSL 2733/4885CTSB 3473/4885CTSK 2545/4885

“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.