SCHEMBL3139264

SCHEMBL3139264

O=S(=O)(O)CCN1CSc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ TP53 P04637 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 3/20 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
Ammonia Solution, Strong SCHEMBL8821900 0.98 MAPT (0.36) MAPTTP53KDM4EMAPK1USP2
SCHEMBL4330783 0.91 MAPT (0.41) MAPTTP53KDM4EMAPK1USP2
SCHEMBL7567358 0.81 KDM1A (0.39) MAPTTP53KDM4EMAPK1TDP1
Sulfuric Acid SCHEMBL6232322 0.79 POLB (0.40) MAPTTP53MAPK1HDAC1HDAC6
Sulfuric Acid SCHEMBL7586602 0.78 POLB (0.39) MAPTTP53MAPK1HDAC1HDAC6
Bromide SCHEMBL31588243 0.77 TP53 (0.36) MAPTTP53KDM4EMAPK1USP2
SCHEMBL7266307 0.77 MAPT (0.49) MAPTTP53KDM4EMAPK1HDAC1
Bromide SCHEMBL31588381 0.75 KMT2A (0.54) MAPTTP53KDM4EALOX15TDP1
Bromide SCHEMBL7401678 0.75 KMT2A (0.54) MAPTTP53KDM4EALOX15TDP1
SCHEMBL27790361 0.75 ALDH1A1 (0.44) MAPTTP53MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049325-A2 AIR CONDITIONING SYSTEM FOR A BUILDING BEHR GMBH & CO. KG (DE) 2010-05-06 — — WO disclosed
US-7700727-B2 Compositions and kits for detecting pathogen infection BIOKIT, S.A. (ES) 2010-04-20 — — US disclosed
WO-2009051427-A2 A KIT FOR DIAGNOSIS OF BREAST CANCER USING HERCEPTIN, A COMPOSITION COMPRISING HERCEPTIN AND A METHOD FOR DETECTING HERCEPTIN-SENSITIVE HER2 OVEREXPRESSED CELL USING THE SAME NATIONAL CANCER CENTER (KR) 2009-04-23 — — WO disclosed
US-20060286119-A1 Compositions and methods for treatment of chronic and infectious diseases BIOKIT S.A. (ES) 2006-12-21 — — US disclosed
US-20060275317-A1 Vaccine compositions for prevention of chronic and infectious diseases BIOKIT S.A. (ES) 2006-12-07 — — US disclosed
US-20060269976-A1 METHOD FOR REDUCING LYSOZYME ENZYMATIC ACTIVITY BIOKIT S.A. (ES) 2006-11-30 — — US disclosed
US-20060063149-A1 Compositions and methods for detecting pathogen infection Patent Administrator 2006-03-23 — — US disclosed
US-20050277181-A1 Compositions and methods for detecting pathogen infection BIOKIT S.A. (ES) 2005-12-15 — — US disclosed
US-20040142450-A1 Lung epithelial cell line for propagating viruses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-22 — — US disclosed
WO-2002089586-A1 LUNG EPITHELIAL CELL LINE FOR PROPAGATING VIRUSES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2002-11-14 — — 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 (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-20060063149-A1 Compositions and methods for detecting pathogen infection TREH, IL17A, TLL1 MAPT 4031/4885TP53 232/4885KDM4E 4716/4885
US-20060275317-A1 Vaccine compositions for prevention of chronic and infectious diseases IL17A, TREH, MMP17 MAPT 3295/4885TP53 67/4885KDM4E 4722/4885
US-20060269976-A1 METHOD FOR REDUCING LYSOZYME ENZYMATIC ACTIVITY TREH, PEPD, MMP17 MAPT 4291/4885TP53 557/4885KDM4E 4359/4885
US-20060286119-A1 Compositions and methods for treatment of chronic and infectious diseases IL17A, TREH, TLL1 MAPT 3777/4885TP53 187/4885KDM4E 4813/4885
US-20050277181-A1 Compositions and methods for detecting pathogen infection TREH, IL17A, TLL1 MAPT 4031/4885TP53 232/4885KDM4E 4716/4885

“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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