SCHEMBL21776407

SCHEMBL21776407

CC(C)Cc1cc(C(=O)C(C)CS)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ACR P10323 2/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL20665563 0.83 HCAR3 (0.37) HCAR3CCNCCDK8ACRTSHR
SCHEMBL19002378 0.80 HCAR3 (0.37) HCAR3CCNCCDK8ACRTSHR
SCHEMBL2888926 0.80 HCAR3 (0.51) HCAR3TP53ALPL
SCHEMBL15651990 0.79 PLA2G10 (0.41) HCAR3CCNCCDK8ACRTSHR
SCHEMBL19049344 0.78 HCAR3 (0.39) HCAR3CCNCCDK8ACRTSHR
SCHEMBL18997400 0.76 HCAR3 (0.35) HCAR3CCNCCDK8ACRTSHR
SCHEMBL19002382 0.69 HCAR3 (0.33) HCAR3NPC1TP53GAAMAPT
SCHEMBL15822837 0.67 TSHR (0.39) HCAR3CCNCCDK8TSHRHTT
SCHEMBL1205827 0.66 PDE1B (0.42) TSHRNPC1RAB9ASMN1; SMN2CDC7
SCHEMBL1204721 0.66 ATM (0.42) CCNCCDK8TSHRGAARAB9A

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-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-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 (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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HCAR3 3210/4885CCNC 1681/4885CDK8 1058/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HCAR3 3210/4885CCNC 1681/4885CDK8 1058/4885

“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.