SCHEMBL21740964

SCHEMBL21740964

CC(c1ccccc1)C(C)(O)S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
RIPK1 Q13546 2/20 0.41
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 2/20 0.40
ADRA2C P18825 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ADRA2A P08913 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 2/20 0.38
ADRA1A P35348 2/20 0.38
AOC3 Q16853 1/20 0.38
CACNA1F O60840 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
SCHEMBL1911099 0.81 SLC6A4 (0.45) SLC6A4RIPK1SLC6A3ADRA2CKDM4E
SCHEMBL25968650 0.81 RIPK1 (0.43) SLC6A4RIPK1SLC6A3SLC6A2ADRA2C
SCHEMBL12574668 0.81 SLC6A4 (0.45) SLC6A4RIPK1SLC6A3ADRA2CKDM4E
SCHEMBL1471159 0.81 SLC6A4 (0.45) SLC6A4RIPK1SLC6A3ADRA2CKDM4E
SCHEMBL27862439 0.81 CYP2D6 (0.40) SLC6A4LMNACYP2D6CYP2C19
SCHEMBL9360478 0.77 RIPK1 (0.45) SLC6A4RIPK1SLC6A3ADRA2CKDM4E
SCHEMBL3367523 0.77 ADRA2A (0.45) SLC6A4RIPK1SLC6A3SLC6A2ADRA2C
SCHEMBL2927670 0.77 CYP2D6 (0.40) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL28600445 0.76 CYP2D6 (0.42) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL14431333 0.75 TAAR1 (0.50) SLC6A4RIPK1SLC6A3SLC6A2ADRA2C

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 SLC6A4 4876/4885RIPK1 354/4885SLC6A3 4779/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SLC6A4 4876/4885RIPK1 354/4885SLC6A3 4779/4885

“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.