SCHEMBL19002297

SCHEMBL19002297

CC(=O)COCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
NAPRT Q6XQN6 1/20 0.50
GRM5 P41594 1/20 0.47
CYP19A1 P11511 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CYP17A1 P05093 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ESR1 P03372 1/20 0.44
TBXAS1 P24557 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL361358 0.85 NAPRT (0.61) HSD11B1NAPRTGRM5CYP19A1CYP17A1
SCHEMBL7551477 0.84 HSD11B1 (0.48) HSD11B1NAPRTCYP19A1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8017516 0.83 NAPRT (0.59) HSD11B1NAPRTGRM5CYP19A1CYP17A1
SCHEMBL18997784 0.83 HSD11B1 (0.53) HSD11B1NAPRTGRM5CYP19A1CHRM2
SCHEMBL21776361 0.83 HSD11B1 (0.53) HSD11B1NAPRTGRM5CYP19A1CHRM2
SCHEMBL3583709 0.81 HSD11B1 (0.55) HSD11B1NAPRTGRM5CYP19A1CYP17A1
SCHEMBL1902114 0.80 HSD11B1 (0.51) HSD11B1NAPRTGRM5CYP19A1CHRM2
SCHEMBL493020 0.80 CYP1A2 (0.56) HSD11B1NAPRTCHRM2CHRM1CHRM3
SCHEMBL22056625 0.80 KMT2A (0.51) HSD11B1NAPRTCYP19A1CHRM2CHRM1
SCHEMBL2519199 0.79 ALDH1A1 (0.61) NAPRTCYP19A1CYP17A1LMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (1 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 HSD11B1 1215/4885NAPRT 546/4885GRM5 1519/4885

“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.