SCHEMBL23908558

SCHEMBL23908558

CC(C)(C)C1C(COCc2ccccc2)CN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.45
DPP4 P27487 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
NR1D1 P20393 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ABHD6 Q9BV23 3/20 0.37
DAGLA Q9Y4D2 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18587895 0.82 AGTR2 (0.47) AGTR2CTSLCTSBCTSKNR1D1
SCHEMBL18587328 0.80 AGTR2 (0.47) AGTR2CTSLCTSBCTSKNR1D1
SCHEMBL20484804 0.77 AGTR2 (0.46) AGTR2CTSLCTSBCTSKNR1D1
SCHEMBL18588189 0.77 AGTR2 (0.46) AGTR2CTSLCTSBCTSKNR1D1
SCHEMBL20211585 0.76 L3MBTL1 (0.39) AGTR2CTSBLMNA
SCHEMBL18588126 0.76 AGTR2 (0.39) AGTR2DPP4NR1D1ABHD6DAGLA
SCHEMBL18587401 0.76 AGTR2 (0.39) AGTR2DPP4NR1D1ABHD6DAGLA
SCHEMBL20485026 0.75 AGTR2 (0.42) AGTR2CTSLCTSBCTSKNR1D1
SCHEMBL3274656 0.74 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL3107583 0.74 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2021-10-14 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-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 AGTR2 2254/4885DPP4 3982/4885CTSL 3034/4885

“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.