SCHEMBL21570191

SCHEMBL21570191

COc1nn(C2CC2)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.38
BTK Q06187 3/20 0.37
PDE4D Q08499 4/20 0.36
PDE10A Q9Y233 1/20 0.36
LRRK2 Q5S007 1/20 0.35
ROCK2 O75116 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33

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
SCHEMBL24159061 0.86 ROCK2 (0.45) BTKPDE4DROCK2FGFR1FGFR2
SCHEMBL21570236 0.81 TSHR (0.39) POLBLRRK2KDM4E
SCHEMBL20551040 0.78 NOTUM (0.36) NOTUMBTKPDE4DPDE10AROCK2
SCHEMBL20551867 0.78 NOTUM (0.45) NOTUMBTK
SCHEMBL21621426 0.78 MAPK1 (0.36) POLBTDP1BTK
SCHEMBL21723853 0.75 MAP3K5 (0.45) POLBTDP1NOTUMBTKPDE10A
SCHEMBL27737569 0.75 BTK (0.39) TDP1NOTUMBTKROCK2KDM4E
SCHEMBL27758269 0.75 NOTUM (0.38) POLBNOTUMBTKLRRK2
SCHEMBL22979883 0.74 NOTUM (0.38) NOTUMBTKROCK2KDM4E
SCHEMBL27831499 0.74 NOTUM (0.38) NOTUMBTKROCK2KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2025-10-30 US disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
EP-3793565-A1 MCL-1 INHIBITORS Gilead Sciences, Inc. (US) 2021-03-24 EP disclosed
CN-112118845-A MCL-1 inhibitors 吉利德科学公司 2020-12-22 CN disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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 (7 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 POLB 1069/4885TDP1 764/4885NOTUM 4481/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 POLB 1069/4885TDP1 764/4885NOTUM 4481/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 POLB 1069/4885TDP1 764/4885NOTUM 4481/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 POLB 1069/4885TDP1 764/4885NOTUM 4481/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 POLB 1069/4885TDP1 764/4885NOTUM 4481/4885
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 POLB 2185/4885TDP1 602/4885NOTUM 2863/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 POLB 1069/4885TDP1 764/4885NOTUM 4481/4885

“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.