SCHEMBL21033760

SCHEMBL21033760

COc1ccccc1C(F)(F)C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOB P27338 1/20 0.43
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.40
NFE2L2 Q16236 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MLYCD O95822 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 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
SCHEMBL30039266 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL21175613 0.81 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5607017 0.79 GAA (0.45) CA1CA2CA7CA9CA12
SCHEMBL5550397 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3364583 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL255270 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL30093322 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL28228661 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL18543499 0.74 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL14191201 0.74 CA1 (0.50) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372936-B Mcl-1 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2022-12-02 CN disclosed
US-10919908-B2 Thienopyrimidinone derivative and application thereof in preparing anticancer drug HENAN GENUINE BIOTECH CO., LTD. (CN) 2021-02-16 US disclosed
CN-111372936-A Mcl-1 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2020-07-03 CN disclosed
EP-3567043-A1 THIENOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MANUFACTURING OF ANTITUMOR DRUGS Henan Genuine Biotech Co., Ltd. (CN) 2019-11-13 EP disclosed
US-20190330230-A1 THIENOPYRIMIDINONE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTICANCER DRUG HENAN GENUINE BIOTECH CO., LTD. (CN) 2019-10-31 US disclosed
WO-2019101144-A1 SELECTIVE MCL-1 INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2019-05-31 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-10919908-B2 Thienopyrimidinone derivative and application thereof in preparing anticancer drug CCND3, CCND1, CCND2 CA1 2467/4885CA2 1606/4885CA7 2118/4885
US-20190330230-A1 THIENOPYRIMIDINONE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTICANCER DRUG CCND3, CCND1, CCND2 CA1 2467/4885CA2 1606/4885CA7 2118/4885

“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.