SCHEMBL22121032

SCHEMBL22121032

O=C(O)c1cc(O)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.59
▸ CASP6 P55212 1/20 0.53
▸ TTR P02766 2/20 0.51
▸ GPR35 Q9HC97 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ VCAM1 P19320 2/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ SELL P14151 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SELP P16109 1/20 0.45

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
SCHEMBL3146159 0.89 CASP6 (0.60) TPMTCASP6GPR35LMNATSHR
Hydrochloric Acid SCHEMBL10571715 0.87 CASP6 (0.58) TPMTCASP6GPR35LMNATSHR
SCHEMBL19436436 0.86 CYP3A4 (0.52) TPMTTTRGPR35LMNATSHR
SCHEMBL29111608 0.84 CASP6 (0.55) TPMTCASP6TTRGPR35LMNA
SCHEMBL30629252 0.84 CASP6 (0.55) TPMTCASP6TTRGPR35LMNA
SCHEMBL644782 0.81 TTR (0.63) TPMTCASP6TTRGPR35LMNA
SCHEMBL30606818 0.81 TTR (0.63) TPMTCASP6TTRGPR35LMNA
SCHEMBL10609914 0.81 TSHR (0.60) TPMTCASP6GPR35LMNATSHR
SCHEMBL29886723 0.81 CASP6 (0.51) TPMTCASP6TTRGPR35LMNA
SCHEMBL7573734 0.80 TPMT (0.54) TPMTTTRGPR35LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof LUPIN LIMITED (IN) 2025-11-25 — — US disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 — — EP disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 — — EP disclosed
CN-114174303-B Macrocyclic compounds as STING agonists and methods and uses thereof 印度鲁宾有限公司 2024-06-25 — — CN disclosed
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof LUPIN LIMITED (IN) 2022-09-15 — — US disclosed
EP-4004002-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF Lupin Limited (IN) 2022-06-01 — — EP disclosed
CN-114174303-A Macrocyclic compounds as STING agonists, methods and uses thereof 印度鲁宾有限公司 2022-03-11 — — CN disclosed
CN-113195473-A Tricyclic compound as STING agonist and preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-30 — — CN disclosed
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 — — WO disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — 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-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof STING1, CGAS, MAVS TPMT 1020/4885CASP6 761/4885TTR 4680/4885
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof STING1, CGAS, MAVS TPMT 1020/4885CASP6 761/4885TTR 4680/4885

“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.

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