SCHEMBL616628

SCHEMBL616628

CC(=O)Nc1ccc(CO)cc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 2/20 0.54
ADRB2 P07550 1/20 0.49
TBXA2R P21731 1/20 0.49
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL31115586 1.00 CA1 (0.54) CA1CA2CA9ADRB2TBXA2R
SCHEMBL13175289 0.81 MAPT (0.62) CA1CA2CA9MAPTNPC1
SCHEMBL20856863 0.79 CA1 (0.54) CA1CA2CA9MAPTNPC1
SCHEMBL5774643 0.79 CA1 (0.41) CA1CA2CA9ADRB2TBXA2R
SCHEMBL10852754 0.78 CA1 (0.60) CA1CA2CA9ADRB2TBXA2R
SCHEMBL13175172 0.77 POLB (0.54) CA1CA2CA9MAPTNPC1
SCHEMBL3072732 0.77 ALDH1A1 (0.52) ADRB2MAPTNPC1POLBRAB9A
SCHEMBL6643787 0.77 HSD17B1 (0.54) MAPTNPC1RAB9ACYP4F2CYP4A11
SCHEMBL28726116 0.77 GAA (0.44) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL1276240 0.76 CA1 (0.51) CA1CA2CA9ADRB2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
CN-102427813-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-04-25 CN disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US 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 (8 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4219/4885CA2 4599/4885CA9 3872/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CA1 4650/4885CA2 4474/4885CA9 4750/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4219/4885CA2 4599/4885CA9 3872/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4219/4885CA2 4599/4885CA9 3872/4885

“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.