SCHEMBL21169200

SCHEMBL21169200

COc1ccc(-c2nc(NC3CCCCC3)sc2CCC(O)OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 4/20 0.71
HPGD P15428 2/20 0.71
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ACHE P22303 4/20 0.48
GAA P10253 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
CNR1 P21554 1/20 0.41
TP53 P04637 2/20 0.40
PTGS2 P35354 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL18997367 0.83 MAPT (1.00) MAPTALDH1A1HPGDPLA2G1BATG4B
SCHEMBL14851898 0.70 PI4KB (0.61) MAPTALDH1A1HPGDACHEGAA
SCHEMBL9548088 0.65 MAPT (0.57) MAPTALDH1A1HPGDACHEGAA
SCHEMBL12105689 0.64 PLTP (0.63) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL19415457 0.64 NPC1 (0.69) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL22678223 0.64 GALR2 (0.45) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL4840175 0.63 MAPT (0.67) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL5909573 0.63 CNR1 (0.64) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL1302331 0.63 FBP1 (0.49) MAPTALDH1A1HPGDGAAPTGDR2
SCHEMBL918248 0.62 MAPT (1.00) MAPTALDH1A1HPGDGAAMEN1

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 2188/4885ALDH1A1 2861/4885HPGD 253/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 MAPT 2731/4885ALDH1A1 2765/4885HPGD 365/4885

“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.