SCHEMBL8032702

SCHEMBL8032702

NNC(=O)NN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CLTC Q00610 1/20 0.32
▸ TIMP3 P35625 1/20 0.31

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
Lithium SCHEMBL4587867 0.99 ALDH1A1 (0.32) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL7705622 0.99 ALDH1A1 (0.32) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL10137916 0.88 CLTC (0.33) CLTC
SCHEMBL18775369 0.85 — —
SCHEMBL16097930 0.84 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL16316878 0.84 L3MBTL1 (0.38) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
Lithium Ion SCHEMBL94590 0.84 CLTC (0.42) ALDH1A1HSD17B10CLTC
SCHEMBL21946061 0.77 CLTC (0.36) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
SCHEMBL21404284 0.76 CLTC (0.40) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10
Ethylenediamine SCHEMBL21957845 0.75 CLTC (0.39) ALDH1A1CYP2C9CYP2C19CASP6HSD17B10

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-20220026434-A1 ADVANCED METHODS FOR AUTOMATED HIGH-PERFORMANCE IDENTIFICATION OF CARBOHYDRATES AND CARBOHYDRATE MIXTURE COMPOSITION PATTERNS AND SYSTEMS THEREFORE AS WELL AS METHODS FOR CALIBRATION OF MULTI WAVELENGTH FLUORESCENCE DETECTION SYSTEMS THEREFORE, BASED ON NEW FLUORESCENT DYES MAX-PLANCK-GESELLSCHAFT ZUR FORDUNG DER WISSENSCHAFTEN E.V. (DE) 2022-01-27 — — US disclosed
WO-2020151799-A1 ADVANCED METHODS FOR AUTOMATED HIGH-PERFORMANCE IDENTIFICATION OF CARBOHYDRATES AND CARBOHYDRATE MIXTURE COMPOSITION PATTERNS AND SYSTEMS THEREFORE AS WELL AS METHODS FOR CALIBRATION OF MULTI WAVELENGTH FLUORESCENCE DETECTION SYSTEMS THEREFORE, BASED ON NEW FLUORESCENT DYES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-07-30 — — WO disclosed
WO-2014053907-A2 WELDING ARC APPAREL WITH UV OR THERMOCHROMIC ACTIVATED IMAGES LINCOLN GLOBAL, INC. (US) 2014-04-10 — — WO disclosed
WO-2014020386-A1 WELDING ACCESSORY WITH UV OR THERMOCHROMIC ACTIVATED IMAGES; SYSTEM FORAND METHOD OF DETECTING A THRESHOLD TEMPERATURE OF THERMAL RADIATION EXPOSURE DURING WELDING OPERATIONS LINCOLN GLOBAL, INC. (US) 2014-02-06 — — WO disclosed
WO-2013025099-A1 SUBSTRATES FOR THE DETECTION OF PERIOPATHOGENS OF THE ORAL CAVITY VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2013-02-21 — — WO disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 — — US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 — — US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 — — US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 — — US disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 — — WO disclosed
WO-2000059620-A1 IMPROVED SURFACTANT AND INK JET INK COMPOSITIONS CONTAINING THE SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-10-12 — — WO disclosed
EP-0804511-A1 NOVEL COLORANTS AND COLORANT MODIFIERS Kimberly-Clark Worldwide, Inc. (US) 1997-11-05 — — EP disclosed
WO-1996022335-A1 NOVEL COLORANTS AND COLORANT MODIFIERS KIMBERLY-CLARK WORLDWIDE, INC. (US) 1996-07-25 — — WO disclosed
EP-0595806-A1 ANALYSIS OF CARBOHYDRATES AND KITS THEREFORE ASTROSCAN LIMITED (GB) 1994-05-11 — — EP disclosed
WO-1993002356-A1 ANALYSIS OF CARBOHYDRATES AND KITS THEREFORE ASTROSCAN, LTD. (GB) 1993-02-04 — — 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-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 ALDH1A1 2086/4885CYP2C9 4879/4885CYP2C19 4871/4885

“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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