SCHEMBL10022381

SCHEMBL10022381

CC(C)c1ccc2c(c1)CCCN2S(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
HPGD P15428 1/20 0.47
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NLRP3 Q96P20 2/20 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
SCHEMBL5018919 0.91 SMN1; SMN2 (0.55) TP53SMN1; SMN2HPGDGLAPOLB
SCHEMBL10066942 0.80 TP53 (0.57) TP53SMN1; SMN2HPGDGLAPOLB
SCHEMBL9464771 0.79 TP53 (0.49) TP53SMN1; SMN2HPGDGLAPOLB
SCHEMBL2880384 0.79 MEN1 (0.53) TP53SMN1; SMN2PDK1PDK2PDK3
SCHEMBL3182062 0.79 TP53 (0.55) TP53SMN1; SMN2HPGDGLAPOLB
SCHEMBL13531815 0.78 MEN1 (0.66) TP53SMN1; SMN2PDK1PDK2PDK3
SCHEMBL15101544 0.77 HPGD (0.64) TP53SMN1; SMN2HPGDPOLBMAPT
SCHEMBL3180468 0.77 MEN1 (0.51) TP53SMN1; SMN2HPGDGLAPOLB
SCHEMBL18997037 0.77 TP53 (0.60) TP53SMN1; SMN2HPGDGLAPOLB
SCHEMBL29631038 0.77 HPGD (0.64) TP53SMN1; SMN2HPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 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-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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 (5 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 TP53 41/4885SMN1; SMN2 3555/4885PDK1 3261/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TP53 41/4885SMN1; SMN2 3555/4885PDK1 3261/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TP53 41/4885SMN1; SMN2 3555/4885PDK1 3261/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA TP53 2583/4885SMN1; SMN2 1326/4885PDK1 459/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TP53 41/4885SMN1; SMN2 3555/4885PDK1 3261/4885

“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.