SCHEMBL21776205

SCHEMBL21776205

CC(C)c1ccc(=O)n(Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.56
PDE5A O76074 1/20 0.56
PDE3A Q14432 1/20 0.56
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 1/20 0.54
PTGS2 P35354 1/20 0.52
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.46
MET P08581 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44

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
SCHEMBL20665122 0.87 ALDH1A1 (0.51) PDE4BPDE5APDE3AALDH1A1KDM4E
SCHEMBL24246978 0.81 MAPT (0.54) PDE4BPDE5APDE3AALDH1A1KDM4E
SCHEMBL28835323 0.79 KCNJ6 (0.49) PDE4BPDE5APDE3AALDH1A1KDM4E
SCHEMBL14074040 0.79 PTGS2 (0.62) PDE4BALDH1A1KDM4EMAPTHPGD
SCHEMBL6376456 0.78 ALDH1A1 (0.55) PDE4BALDH1A1KDM4EMAPTHPGD
SCHEMBL104990 0.77 ALDH1A1 (0.58) PDE4BALDH1A1KDM4EMAPTHPGD
SCHEMBL24246974 0.77 HRH3 (0.37) PDE4BPDE5APDE3AALDH1A1KDM4E
SCHEMBL9472059 0.76 ALDH1A1 (0.56) PDE4BALDH1A1KDM4EMAPTHPGD
SCHEMBL19531685 0.76 KDM4E (0.47) PDE4BPDE5APDE3AALDH1A1KDM4E
SCHEMBL6133942 0.76 ALDH1A1 (0.56) PDE4BALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
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
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 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 (4 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS PDE4B 1430/4885PDE5A 3300/4885PDE3A 3562/4885
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS PDE4B 1430/4885PDE5A 3300/4885PDE3A 3562/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS PDE4B 1430/4885PDE5A 3300/4885PDE3A 3562/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS PDE4B 1430/4885PDE5A 3300/4885PDE3A 3562/4885

“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.