SCHEMBL21776360

SCHEMBL21776360

CC(C)(C)C(=O)COCc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
MAPK1 P28482 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
ENPP2 Q13822 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
EGFR P00533 1/20 0.41
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CTBP2 P56545 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL19441309 0.84 MAPK1 (0.39) MAPK1SMN1; SMN2
SCHEMBL13028693 0.83 TSHR (0.50) MAPK1SMN1; SMN2
SCHEMBL5038094 0.80 CTBP2 (0.47) SPRMAPK1ENPP2CYP3A4CTBP2
SCHEMBL13012102 0.80 CTBP2 (0.51) SPRMAPK1GABRA1GABRG2GABRB3
SCHEMBL19002299 0.77 MAPK1 (0.41) MAPK1SMN1; SMN2
SCHEMBL19169511 0.77 DRD2 (0.50) SPRGABRA1GABRG2GABRB3GABRA3
SCHEMBL3252739 0.77 GABRA1 (0.45) SPRMAPK1GABRA1GABRG2GABRB3
SCHEMBL13791088 0.76 NLRP3 (0.47) SPR
SCHEMBL18997784 0.75 HSD11B1 (0.53) CYP3A4CHRM3CHRM2CHRM1
SCHEMBL18997591 0.75 RAB9A (0.47) MAPK1

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 SPR 3637/4885MAPK1 477/4885GABRA1 4521/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS SPR 3637/4885MAPK1 477/4885GABRA1 4521/4885

“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.