SCHEMBL6434530

SCHEMBL6434530

CS(=O)(=O)N[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
DRD3 P35462 4/20 0.39
DRD2 P14416 3/20 0.39
TYR P14679 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.36
HCRTR2 O43614 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL6797691 1.00 HTR2A (0.39) HTR2ADRD3DRD2TYRCA1
SCHEMBL6433600 1.00 HTR2A (0.39) HTR2ADRD3DRD2TYRCA1
SCHEMBL6433594 1.00 HTR2A (0.39) HTR2ADRD3DRD2TYRCA1
SCHEMBL5363218 0.84 KDM4E (0.44) ALDH1A1LMNA
SCHEMBL5363211 0.84 KDM4E (0.44) ALDH1A1LMNA
SCHEMBL6434090 0.83 TSHR (0.34) HTR2ADRD3DRD2TYRCA1
SCHEMBL5359940 0.81 ALDH1A1 (0.55) HTR2ADRD3DRD2ALDH1A1LMNA
SCHEMBL5359944 0.81 ALDH1A1 (0.55) HTR2ADRD3DRD2ALDH1A1LMNA
SCHEMBL5366806 0.81 ALDH1A1 (0.55) HTR2ADRD3DRD2ALDH1A1LMNA
SCHEMBL5374721 0.81 ALDH1A1 (0.48) HTR2ADRD3DRD2TYRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US claimed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP claimed
US-6828460-B2 Containing at least one ester, oxime, sulfonamide, hydroxyamino or alkyoxyamino functionality; skin lightening agents; tyrosinase inhibitors PFIZER INC. 2004-12-07 US claimed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US claimed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US claimed
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
US-20050143594-A1 Process for preparing resorcinol derivatives BRADLEY STUART E (GB) 2005-06-30 US disclosed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed
US-6861564-B2 Process for preparing resorcinol derivatives PFIZER INC. (US) 2005-03-01 US disclosed
US-6828460-B2 Containing at least one ester, oxime, sulfonamide, hydroxyamino or alkyoxyamino functionality; skin lightening agents; tyrosinase inhibitors PFIZER INC. 2004-12-07 US disclosed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US disclosed
US-20030088113-A1 Process for preparing resorcinol derivatives BRADLEY STUART EDWARD (GB) 2003-05-08 US disclosed
US-6504037-B2 Reacting a cyclohexanedione or chromene-one derivative with 1,8-diazabicyclo(5.4.0)undec-7ene WARNER-LAMBERT COMPANY 2003-01-07 US disclosed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
US-20020032352-A1 Process for preparing resorcinol derivatives PFIZER PRODUCTS INC. 2002-03-14 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 (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-20050143594-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR HTR2A 2963/4885DRD3 172/4885DRD2 192/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR HTR2A 2963/4885DRD3 172/4885DRD2 192/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 HTR2A 2770/4885DRD3 434/4885DRD2 398/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR HTR2A 2963/4885DRD3 172/4885DRD2 192/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 HTR2A 2770/4885DRD3 434/4885DRD2 398/4885

“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.