SCHEMBL21790363

SCHEMBL21790363

Cc1cc(C(=O)O)n(CCF)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.45
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
GRN P28799 4/20 0.41
SORT1 Q99523 4/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
GLS O94925 1/20 0.37

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
SCHEMBL5250642 0.84 LMNA (0.47) LMNAKDM4EAPAF1POLBGRN
SCHEMBL30970919 0.84 GAA (0.49) LMNAKDM4EAPAF1POLBGRN
SCHEMBL22857792 0.82 GAA (0.46) LMNAKDM4EPOLBMAPTHTT
SCHEMBL23115836 0.81 KDM4E (0.51) LMNAKDM4EAPAF1POLBGRN
SCHEMBL3614239 0.81 KDM4E (0.51) LMNAKDM4EAPAF1POLBGRN
SCHEMBL23138330 0.81 SMN1; SMN2 (0.45) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL710008 0.80 MAPT (0.56) LMNAKDM4EAPAF1POLBGRN
SCHEMBL2518853 0.80 HCAR3 (0.45) LMNAKDM4EAPAF1POLBGRN
SCHEMBL4754841 0.80 KDM4E (0.50) LMNAKDM4EAPAF1POLBGRN
SCHEMBL14097078 0.79 LMNA (0.68) LMNAKDM4EAPAF1POLBGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631228-B Macrocyclic compounds as STING agonists 鲁宾有限公司 2023-10-13 CN disclosed
US-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-12-08 US disclosed
US-20220144852-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS LUPIN LIMITED (IN) 2022-05-12 US disclosed
US-20220144852-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS LUPIN LIMITED (IN) 2022-05-12 US disclosed
EP-3946610-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS Lupin Limited (IN) 2022-02-09 EP disclosed
CN-113631228-A Macrocyclic compounds as STING agonists 鲁宾有限公司 2021-11-09 CN disclosed
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed
CN-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed
WO-2021052501-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2021-03-25 WO disclosed
WO-2021000770-A1 HETEROCYCLIC COMPOUND CAPABLE OF ENHANCING IMMUNE ACTIVITY, PREPARATION METHOD THEREFOR AND APPLICATION IN MEDICINE 凯复制药有限公司 2021-01-07 WO disclosed
WO-2020194160-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS LUPIN LIMITED (IN) 2020-10-01 WO disclosed
WO-2020194160-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS LUPIN LIMITED (IN) 2020-10-01 WO disclosed
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 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-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF STING1, CGAS, MYD88 LMNA 3488/4885KDM4E 3353/4885APAF1 1367/4885
US-20220144852-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS STING1, CGAS, TBK1 LMNA 1710/4885KDM4E 4074/4885APAF1 1095/4885

“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.