SCHEMBL24967930

SCHEMBL24967930

COc1ncc(-c2cccc(CC(=O)O)c2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.48
NR1H3 Q13133 9/20 0.48
SYK P43405 2/20 0.48
RXRA P19793 4/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
PIK3CD O00329 3/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
KCNH2 Q12809 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
CDK8 P49336 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL30851237 1.00 NR1H2 (0.48) NR1H2NR1H3SYKRXRARXRB
SCHEMBL24967931 0.90 SYK (0.55) NR1H2NR1H3SYKPIK3CDPIK3CG
SCHEMBL24967935 0.81 SMN1; SMN2 (0.47) RXRARXRBRXRGSMN1; SMN2CYP11B1
SCHEMBL30851253 0.81 SMN1; SMN2 (0.47) RXRARXRBRXRGSMN1; SMN2CYP11B1
SCHEMBL24967940 0.79 HSD17B1 (0.52) SYKPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30851292 0.79 HSD17B1 (0.52) SYKPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL24967932 0.78 PIK3CD (0.48) SYKPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30165044 0.78 PIK3CD (0.48) SYKPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL27233839 0.72 RXRA (0.48) NR1H2NR1H3RXRARXRBRXRG
SCHEMBL4207967 0.71 PTGS1 (0.59) PPARDCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 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 (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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 NR1H2 3795/4885NR1H3 3483/4885SYK 1919/4885

“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.