SCHEMBL21169245

SCHEMBL21169245

CCC(=O)C(O)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2A6 P11509 1/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
F2R P25116 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 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
SCHEMBL24450571 0.84 MAPT (0.45) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL20665306 0.82 MAPT (0.44) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL19002288 0.81 MAPT (0.43) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL19002291 0.79 GSK3B (0.44) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL14707620 0.79 HTT (0.46) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL5513880 0.77 ACHE (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8975203 0.77 LMNA (0.56) MAPTKDM4EGAAL3MBTL1HTT
SCHEMBL2563661 0.77 LMNA (0.56) MAPTKDM4EGAAL3MBTL1HTT
SCHEMBL4054821 0.77 MAPT (0.41) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL19369769 0.76 CYP2A6 (0.48) CYP2A6HTTRAB9AGSK3BCA1

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 MAPT 2188/4885KDM4E 3018/4885GAA 3274/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 MAPT 2731/4885KDM4E 3392/4885GAA 2713/4885

“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.