SCHEMBL20446605

SCHEMBL20446605

Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C1CC(O)CN1

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CYP2D6 P10635 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL30728425 0.88 CYP2D6 (0.39) CA1CA2CYP2D6TSHRALDH1A1
SCHEMBL7143462 0.82 GRIK1 (0.45) CYP2D6TSHRALDH1A1L3MBTL1GRIK1
SCHEMBL21802746 0.81 CYP2D6 (0.42) CA1CA2CYP2D6POLBTSHR
SCHEMBL9637070 0.80 CA1 (0.48) CA1CA2TSHRMAPTLMNA
SCHEMBL28723214 0.80 CA1 (0.48) CA1CA2TSHRMAPTLMNA
Sulfuric Acid SCHEMBL5671441 0.78 CYP2D6 (0.52) CYP2D6TSHRKDM4ELMNACYP1A2
SCHEMBL5740867 0.77 CYP2D6 (0.48) CA1CA2CYP2D6POLBTSHR
SCHEMBL1026108 0.77 CYP2D6 (0.39) CA1CA2CYP2D6ALDH1A1KDM4E
SCHEMBL31621130 0.76 CYP2D6 (0.58) CYP2D6TSHRKDM4ELMNACYP1A2
SCHEMBL31630444 0.76 CYP2D6 (0.58) CYP2D6TSHRKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019022-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2024-01-31 — — EP disclosed
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 — — US disclosed
EP-4019022-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2022-06-29 — — EP disclosed
EP-3355890-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2021-11-10 — — EP disclosed
US-11066360-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-07-20 — — US disclosed
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2020-11-19 — — US disclosed
US-10562850-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-02-18 — — US disclosed
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-20 — — US disclosed
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 — — EP 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 (5 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-11066360-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CA1 1442/4885CA2 1907/4885CYP2D6 1606/4885
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CA1 1442/4885CA2 1907/4885CYP2D6 1606/4885
US-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CA1 1442/4885CA2 1907/4885CYP2D6 1606/4885
US-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CA1 1442/4885CA2 1907/4885CYP2D6 1606/4885
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CA1 1442/4885CA2 1907/4885CYP2D6 1606/4885

“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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