SCHEMBL17748971

SCHEMBL17748971

CC(C)(C)OC(=O)NC1CCCc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
TBXAS1 P24557 1/20 0.42
P2RX7 Q99572 2/20 0.41
CYP19A1 P11511 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.39
PDE10A Q9Y233 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 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
SCHEMBL18818312 0.93 TRPV1 (0.47) P2RX7TRPV1EPHX2PDE10A
SCHEMBL29537270 0.93 TRPV1 (0.47) P2RX7TRPV1EPHX2PDE10A
SCHEMBL3312480 0.82 MAPK1 (0.49) MAPK1TBXAS1P2RX7CYP19A1TRPV1
SCHEMBL5053533 0.82 MAPK1 (0.49) MAPK1TBXAS1P2RX7CYP19A1TRPV1
SCHEMBL1265585 0.81 GAA (0.40) EPHX2PDE10AKMT2AL3MBTL1
SCHEMBL1265583 0.81 GAA (0.40) EPHX2PDE10AKMT2AL3MBTL1
SCHEMBL25029088 0.81 KLKB1 (0.44) ALDH1A1KMT2AL3MBTL1
SCHEMBL18761357 0.80 HTT (0.59) ALDH1A1LMNAKMT2A
SCHEMBL5714269 0.80 HTT (0.59) ALDH1A1LMNAKMT2A
SCHEMBL29551628 0.80 HTT (0.59) ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108613-B Bromodomain inhibitors and uses thereof 基因泰克公司 2020-02-25 CN disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 MAPK1 662/4885TBXAS1 928/4885P2RX7 3532/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MAPK1 662/4885TBXAS1 928/4885P2RX7 3532/4885

“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.