SCHEMBL30722965

SCHEMBL30722965

C[C@@H](C[C@H]1CC[C@H](N)CC1)NC(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.44
CA2 P00918 4/20 0.44
CA5A P35218 2/20 0.44
CA1 P00915 5/20 0.42
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL30722977 0.88 CTSK (0.48) LMNACTSLCTSBCTSSCTSK
SCHEMBL27180658 0.85 ALDH1A1 (0.42)
SCHEMBL7325979 0.79 CA1 (0.51) CA2CA1LMNA
SCHEMBL6063666 0.79 CA1 (0.51) CA2CA1LMNA
SCHEMBL22225460 0.77 CTSK (0.61) CTSLCTSBCTSSCTSK
SCHEMBL3652008 0.75 P2RX7 (0.51) P2RX7CA2CA5ACA1LMNA
SCHEMBL22552853 0.75 P2RX7 (0.51) P2RX7CA2CA5ACA1LMNA
SCHEMBL3652010 0.75 P2RX7 (0.51) P2RX7CA2CA5ACA1LMNA
SCHEMBL6893685 0.75 MAPT (0.45) CA2CA1LMNACTSLCTSB
SCHEMBL30722986 0.75 CTSK (0.51) LMNACTSLCTSBCTSSCTSK

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
EP-4541791-A1 DIHYDROOXADIAZINONE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2025-04-23 EP disclosed
CN-119365445-A Dihydrooxadiazinon compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2025-01-24 CN disclosed
US-20240101572-A1 DIHYDROOXADIAZINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-03-28 US disclosed
WO-2023243686-A1 DIHYDROOXADIAZINONE COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 2023-12-21 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-20240101572-A1 DIHYDROOXADIAZINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PLD2, PLD1, PLD4 P2RX7 594/4885CA2 1727/4885CA5A 1100/4885

“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.