SCHEMBL21901049

SCHEMBL21901049

CC(C)N1CCCc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CRHR1 P34998 1/20 0.39
RORC P51449 1/20 0.39
P2RY1 P47900 1/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
HSD11B1 P28845 1/20 0.37
ACACB O00763 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL12356969 0.82 HSD17B10 (0.56) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL19002241 0.81 PDK1 (0.52) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18997411 0.80 PDK1 (0.51) PDK1PDK2PDK3PDK4LMNA
SCHEMBL22843391 0.78 NOTUM (0.50) LMNAMAPTCYP11B1RORCALDH1A1
SCHEMBL26763825 0.78 PDK1 (0.61) PDK1PDK2PDK3PDK4LMNA
SCHEMBL19049346 0.78 HRH3 (0.57) PDK1PDK2PDK3PDK4LMNA
SCHEMBL20665119 0.77 PDK1 (0.48) PDK1PDK2PDK3PDK4LMNA
SCHEMBL12382109 0.76 NOTUM (0.46) PDK1PDK2PDK3PDK4MAPT
SCHEMBL24011118 0.76 LMNA (0.71) PDK1PDK2PDK3PDK4LMNA
SCHEMBL12356968 0.74 ALDH1A1 (0.55) PDK1PDK2PDK3PDK4MAPT

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-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 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 (2 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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS PDK1 3261/4885PDK2 4085/4885PDK3 3874/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS PDK1 3261/4885PDK2 4085/4885PDK3 3874/4885

“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.