SCHEMBL21740798

SCHEMBL21740798

CCC(C)(C)CC(=O)NCc1ccc(O)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
FAAH O00519 1/20 0.39
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TPSAB1 Q15661 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL19002501 0.87 HPGD (0.59) HPGDFAAHALDH1A1TPSAB1MAPT
SCHEMBL19002500 0.80 CYP3A4 (0.51) HPGDFAAHALDH1A1EPHX2TRPV1
SCHEMBL6184554 0.77 CCNB2 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL3604597 0.76 KMT2A (0.51) HPGDALDH1A1KMT2AMAPT
SCHEMBL24160932 0.74 NPC1 (0.57) HPGDALDH1A1EPHX2NR1H4CNR1
SCHEMBL18997623 0.73 HPGD (0.56) HPGDFAAHALDH1A1
SCHEMBL19002635 0.73 HPGD (0.46) HPGDALDH1A1MAPT
SCHEMBL3600145 0.73 TSHR (0.53) HPGDFAAHALDH1A1GAA
SCHEMBL18997624 0.72 HPGD (0.59) HPGDALDH1A1MAPTGAA
SCHEMBL20665251 0.71 LOX (0.44) HPGDALDH1A1EPHX2

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-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HPGD 2278/4885FAAH 3544/4885RIPK1 354/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HPGD 2278/4885FAAH 3544/4885RIPK1 354/4885

“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.