SCHEMBL16398138

SCHEMBL16398138

NC(=O)[C@H]1CC[C@H](COCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
AGTR2 P50052 1/20 0.43
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL16398139 1.00 TSHR (0.57) TSHRCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL22849511 0.88 ALDH1A1 (0.55) TSHRSMN1; SMN2NPC1RAB9ACTSL
SCHEMBL3398972 0.88 ALDH1A1 (0.55) TSHRSMN1; SMN2NPC1RAB9ACTSL
SCHEMBL25877951 0.85 ALDH1A1 (0.45) TSHRCTSLCTSBCTSKAGTR2
SCHEMBL22849113 0.85 AGTR2 (0.46) TSHRCTSLCTSBCTSKAGTR2
SCHEMBL23728448 0.85 CTSL (0.45) TSHRCYP2C19SMN1; SMN2CTSLCTSB
SCHEMBL22835418 0.85 AGTR2 (0.46) TSHRCTSLCTSBCTSKAGTR2
SCHEMBL23744430 0.85 CTSL (0.45) TSHRCYP2C19SMN1; SMN2CTSLCTSB
SCHEMBL17019782 0.83 TSHR (0.58) TSHRCTSLCTSBCTSK
SCHEMBL1928095 0.83 TSHR (0.58) TSHRCTSLCTSBCTSK

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
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2014196328-A1 HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 日本理化学工業株式会社 (JP) 2014-12-11 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 (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-20230122219-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885CYP2C19 3990/4885SMN1; SMN2 2647/4885

“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.