SCHEMBL21776394

SCHEMBL21776394

CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 2/20 0.57
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
HTT P42858 1/20 0.53
TPSAB1 Q15661 1/20 0.52
DPP4 P27487 1/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 2/20 0.46
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
PTGES2 Q9H7Z7 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
SCHEMBL19002210 0.84 HTR2C (0.76) ALDH1A1KDM4ETDP1KMT2AHTR2C
SCHEMBL30304230 0.81 HTR2C (0.76) ALDH1A1KDM4ETDP1KMT2AHTR2C
SCHEMBL18997080 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1KMT2AHTR2C
SCHEMBL26212927 0.78 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1KMT2AHTR2C
SCHEMBL10694031 0.75 GFER (0.61) ALDH1A1KDM4ETDP1KMT2AHTR2C
SCHEMBL9364845 0.75 PNMT (0.64) ALDH1A1KDM4ETDP1KMT2AHTR2C
SCHEMBL20327817 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AHTTLMNAMEN1
SCHEMBL5649673 0.72 KMT2A (0.57) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL26787768 0.72 ALDH1A1 (0.64) ALDH1A1KMT2AHTTLMNAMEN1
SCHEMBL3704958 0.72 CA12 (0.71) ALDH1A1KMT2AHTTNAMPT

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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
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 (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 ALDH1A1 3448/4885KDM4E 4215/4885TDP1 3901/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885KDM4E 3392/4885TDP1 3252/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885KDM4E 4215/4885TDP1 3901/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ALDH1A1 3448/4885KDM4E 4215/4885TDP1 3901/4885

“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.