SCHEMBL20992001

SCHEMBL20992001

C[C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
FKBP1A P62942 3/20 0.45
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTR2C P28335 1/20 0.43
KLK7 P49862 1/20 0.43
PARP1 P09874 1/20 0.43
AGTR2 P50052 1/20 0.43
HPGD P15428 1/20 0.42
ABCB1 P08183 1/20 0.42
TSHR P16473 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL21554977 0.87 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL21555068 0.87 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL21159514 0.87 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL8279010 0.85 CTSL (0.49) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL20539082 0.84 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL18591209 0.84 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL18591210 0.84 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL21554728 0.84 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL30272160 0.84 CTSL (0.46) CTSLFKBP1APDK1PDK2PDK3
SCHEMBL20146333 0.83 PDK1 (0.50) CTSLFKBP1APDK1PDK2PDK3

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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CTSL 203/4885FKBP1A 3159/4885PDK1 2186/4885

“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.