SCHEMBL3174331

SCHEMBL3174331

C/C(=C\CCS(=O)(=O)O)C(=O)O.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.36
PPARG P37231 1/20 0.32
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
BACE1 P56817 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL3174345 1.00 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
SCHEMBL26471 0.98 CD81 (0.37) CD81PPARGPTGS1PDE4ALMNA
SCHEMBL26472 0.98 CD81 (0.37) CD81PPARGPTGS1PDE4ALMNA
Ammonia Solution, Strong SCHEMBL5050827 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
Hydrochloric Acid SCHEMBL15637924 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
SCHEMBL16318562 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
SCHEMBL11264760 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
Hydrochloric Acid SCHEMBL15637922 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
SCHEMBL9998853 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA
SCHEMBL16318563 0.96 CD81 (0.36) CD81PPARGPTGS1PDE4ALMNA

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
US-9670435-B2 Copolymers comprising carboxylic acid groups, sulfo groups and polyalkylene oxide groups as a scale-inhibiting additive to washing and cleaning products BASF SE (DE) 2017-06-06 US disclosed
US-9362527-B2 Functional film having a hybrid layer of polysiloxane and fine resin particles Konica Minolta, Inc. (JP) 2016-06-07 US disclosed
US-20160013443-A1 FUNCTIONAL FILM, METHOD FOR PRODUCING THE SAME, AND ELECTRONIC DEVICE INCLUDING FUNCTIONAL FILM Konica Minolta, Inc. (JP) 2016-01-14 US disclosed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
EP-2815880-A1 FUNCTIONAL FILM, METHOD FOR PRODUCING SAME, AND ELECTRONIC DEVICE COMPRISING FUNCTIONAL FILM Konica Minolta, Inc. (JP) 2014-12-24 EP disclosed
US-20120129749-A1 COPOLYMERS COMPRISING CARBOXYLIC ACID GROUPS, SULFO GROUPS AND POLYALKYLENE OXIDE GROUPS AS A SCALE-INHIBITING ADDITIVE TO WASHING AND CLEANING PRODUCTS HENKEL AG & CO. KGAA (DE) 2012-05-24 US disclosed
US-20120129750-A1 Copolymers Comprising Carboxylic Acid Groups, Sulfo Groups and Polyalkylene Oxide Groups as a Scale-Inhibiting Additive to Washing and Cleaning Products HENKEL AG & CO. KGAA (DE) 2012-05-24 US disclosed
US-7645345-B2 Use of copolymers containing sulfonic acid groups, as an additive in detergents and cleansers BASF AKTIENGESELLSCHAFT (DE) 2010-01-12 US disclosed
US-20080281053-A1 USE OF COPOLYMERS CONTAINING SULFONIC ACID GROUPS, AS AN ADDITIVE IN DETERGENTS AND CLEANSERS BASF AKTIENGESELLSCHAFT (DE) 2008-11-13 US disclosed
US-20050202994-A1 Use of copolymers containing sulfonic acid groups, as an additive in detergents and cleansers BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 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 (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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 CD81 788/4885PPARG 3070/4885PTGS1 2961/4885

“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.